<|"8" -> <|{457.0024, 0.34764, "Meta"} -> {{23444, 16317, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{24079, 27071, 27347}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{15664, 15419, 16108}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{1, 11118, 12997}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{19602, 18869, 15456}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{65963, 66484, 63496}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{38656, 39441, 38649}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{33772, 32041, 35393}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{14751, 1, 14887}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{13153, 12672, 10632}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{30246, 30044, 23815}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{19354, 19375, 14995}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{29886, 28958, 25063}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{27787, 29009, 24861}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{13803, 14050, 12206}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{23314, 19342, 17959}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{40580, 39168, 35451}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{61220, 57407, 57259}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{29785, 26860, 22352}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{80988, 78742, 73433}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{69798, 67940, 65218}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{67378, 62012, 47727}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{84382, 81479, 75871}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{50924, 47119, 42779}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{563792, 447944, 521610}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{26653, 27354, 21927}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{121035, 116295, 105275}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{63692, 60585, 49291}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{158631, 158938, 143231}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{80292, 79509, 74584}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{1, 18326, 13144}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{339325, 296300, 1}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{30136, 26213, 19808}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{229336, 214827, 201783}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{53684, 53114, 1}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{1, 381162, 1}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{35531, 45205, 29387}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{851015, 801842, 763650}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{542573, 493452, 462388}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{973951, 910038, 853860}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{26572, 24731, 24492}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1491069, 1421955, 1383370}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1748013, 1645499, 1559504}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1220978, 1155837, 1095959}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1375328, 1317094, 1269596}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{20563, 20074, 21000}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{724029, 690427, 685613}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{62186, 60439, 60286}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3648408, 3385121, 3313658}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{49073, 46873, 43954}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{74453, 68696, 66714}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{55225, 50647, 52867}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{1, 18094, 17727}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{71282, 71912, 68669}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{38905, 33383, 32351}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{72798, 71472, 67886}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{48862, 47828, 52461}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{14552, 14283, 16937}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{15402, 17035, 20310}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{16680, 11020, 14913}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{14669, 13354, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{220911, 206843, 1}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{704751, 679817, 666819}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{178213, 164542, 162948}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{147904, 1, 129742}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{1, 128456, 124307}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{1, 56305, 1}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{91023, 84152, 83500}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{367335, 363822, 284317}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{92167, 67296, 82103}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{370297, 339661, 1}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{108376, 110072, 110495}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{211047, 195142, 182679}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{1, 30146, 31498}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{25784, 25803, 23909}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{106226, 92788, 83943}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{74367, 75093, 1}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{161719, 135410, 123656}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{1, 98116, 99694}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1690216, 1624712, 1534792}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{140744, 134769, 121745}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{58862, 1, 53017}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{186943, 1, 142327}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{9577920, 9465445, 8802456}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{1, 131138, 133166}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{133625, 133889, 145682}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{67369, 60605, 64663}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{53718, 49254, 72408}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{156680, 58129, 135681}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{244676, 201677, 213943}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{256070, 232608, 241894}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{679912, 473539, 514175}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{60750, 66349, 1}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{118802, 193701, 233923}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{67161, 86361, 81604}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{954389, 1073264, 816213}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{1, 236281, 1}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1968467, 1634774, 1755333}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{57789, 49057, 43925}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{215177, 206400, 174399}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{196551, 254635, 184343}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{595723, 523905, 485624}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{146785, 118703, 118426}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{52095, 39306, 33629}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{94414, 70436, 63249}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{125442, 90130, 94261}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{30769, 16930, 17250}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{408148, 322195, 320391}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{26180, 21839, 18730}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{1, 202966, 225282}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{57528, 47693, 45393}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8408336, 7360700, 7005398}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{65455, 53346, 55963}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{158670, 72872, 105753}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{349985, 423790, 181205}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{77570, 1, 103050}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{104003, 1, 83565}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{324687, 342782, 260243}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{163517, 112922, 87816}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{39233, 32577, 31783}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2248926, 2266153, 1919894}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{71998, 1, 67089}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{1, 155026, 100832}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{518948, 576758, 435748}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{29878, 28040, 31487}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{66213, 66523, 74291}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{111826, 123586, 83300}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{99196, 93213, 124752}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{32073, 28617, 39687}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{17573, 12968, 17180}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{1, 1, 1}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.29*^7, 1.*^7, 1.02*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 18245, 24430}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{421467, 438658, 517625}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{689349, 552944, 575744}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{46649, 30167, 28176}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{101525, 68437, 71008}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{26745, 17424, 33788}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{789950, 604335, 566656}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{1, 62233, 190044}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{21008, 15344, 22826}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{18103, 10665, 17652}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{22348, 9156, 22118}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{23560, 9892, 24071}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{18187, 1, 12507}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{93988, 39216, 57850}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{58029, 30782, 36076}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{34113, 26236, 30909}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{23867, 1, 1}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{148462, 1, 108232}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{23288, 1, 16990}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{104924, 104252, 1}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{51040, 53082, 46035}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{285895, 296450, 223518}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{195965, 139154, 155618}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{193504, 166283, 130160}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{1, 81094, 1}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{300714, 1, 203856}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{86994, 1, 1}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{625824, 530052, 492441}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{53378, 37703, 31459}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{287142, 214910, 214732}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{1, 1, 62742}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, overall=80.25, \
mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{414902, 268388, 322677}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{278966, 271424, 206373}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5665356, 4066782, 4475976}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{1, 93754, 84675}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{95052, 54741, 74883}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{43524, 1, 1}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2169839, 570419, 1}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{1, 27524, 40083}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{52483, 34920, 29421}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{84141, 64987, 33891}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.36*^7, 9460150, 9297450}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{291577, 204670, 97784}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1010158, 765505, 690122}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{3420639, 2947989, 2436152}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{175796, 115391, 113434}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{1, 128693, 124728}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{79118, 91542, 98107}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2270508, 1830664, 1606105}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{513018, 341252, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{1, 123656, 108623}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{89809, 55837, 1}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{5473101, 4200729, 3349460}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{212634, 163027, 130217}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{140718, 176810, 1}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{1, 132481, 104998}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{229494, 181742, 136264}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{225623, 197204, 134434}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{1, 41584, 1}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{3.88*^7, 3.36*^7, 2.68*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1055263, 930428, 782374}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1123841, 924778, 815535}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{219959, 172576, 159569}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{118553, 118905, 86139}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{101591, 87041, 69707}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{121848, 132132, 71368}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{77848, 68694, 1}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1415892, 1297065, 1026806}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{623232, 472473, 229363}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{1500719, 1267037, 1012015}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{117176, 98444, 77003}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{57599, 49179, 37880}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{30451, 23182, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{82684, 68548, 52013}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{22048, 21192, 16580}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{229921, 191829, 147156}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{14649, 36405, 59296}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{685499, 546332, 359709}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{136355, 108919, 65858}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{91258, 91006, 62625}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{272967, 225307, 180823}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{78976, 56516, 47930}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{19787, 1, 1}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1134871, 1017759, 835196}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{13604, 13739, 1}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{125210, 121191, 95645}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{29549, 34082, 26063}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{21894, 1, 1}, {"Nimodipine [ C21 H26 N2 \
O7, db=72.80, overall=74.28, mfg=75.75, KEGG ID=C07267, CAS ID=66085-59-4 ]", 
      "66085-59-4"}}, {145.0528, 5.719285, "Meta"} -> 
    {{74877, 86018, 55649}, {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, \
overall=71.62, mfg=72.84, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {188.105, 5.770749, "Meta"} -> {{113614, 124817, 85032}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, overall=91.17, mfg=91.49, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{38048, 31450, 25029}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{142461, 121410, 102897}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{90597, 68826, 54825}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{30448, 28486, 25722}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{217010, 184124, 150296}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{446022, 362516, 295995}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{80986, 73849, 58256}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{126517, 102584, 87709}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{76613, 65025, 1}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{44099, 38682, 35158}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{256720, 212071, 173414}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{123896, 105682, 83595}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{32415, 53968, 29050}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{24135, 20017, 22640}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{857458, 719068, 569106}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{68264, 67076, 47019}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{3573005, 3081971, 2479046}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{108350, 94147, 71735}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{662865, 597825, 491264}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{25822, 1, 26256}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{157779, 28954, 139581}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{30007, 1, 17810}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{108186, 1, 52089}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{14553, 1, 14449}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{69698, 32831, 68645}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{47999, 15755, 43932}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{8832893, 2983328, 7708643}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{33039, 1, 1}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{30397, 1, 20900}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{1002292, 874872, 705584}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{32497, 30750, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{27481, 33561, 20512}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{41263, 45110, 1}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{46227, 37685, 26525}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{47952, 37194, 35175}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{110982, 87372, 72875}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{62149, 52619, 38279}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{72396, 58647, 47413}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{414280, 353633, 290013}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{35966, 24272, 1}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{76868, 65532, 47734}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{385996, 328116, 305497}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{187470, 150562, 108460}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{56592, 41348, 20045}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{165156, 112463, 82174}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{595417, 522309, 420654}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{35775, 27219, 23307}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{45398, 125026, 120823}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{78395, 72031, 51107}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{467067, 335814, 279621}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{245440, 190584, 166464}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{30191, 23230, 16303}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{29828, 94422, 90202}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{149518, 116507, 105027}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{56979, 133606, 123308}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{753886, 7514, 1}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{78599, 68485, 53998}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{34809, 30465, 25527}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{268379, 230311, 195152}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{139994, 126022, 96997}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{39939, 36319, 27759}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{74256, 66882, 47582}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{600142, 472106, 203375}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{86484, 53167, 1}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{98853, 82774, 61872}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{44321, 1, 1}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{2295117, 1523101, 823235}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{24413, 1, 1}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{122218, 74639, 44821}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{959634, 656424, 415236}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{303333, 230012, 120628}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{84362, 66007, 39343}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{113479, 102709, 81547}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{87621, 76783, 61283}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{342246, 293832, 228708}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{41665, 38592, 28358}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{96360, 102312, 66189}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{1141822, 1167147, 687989}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{167937, 172298, 102868}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{1356975, 1172159, 685957}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{1, 102621, 67226}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{47130, 47076, 35970}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{149402, 143548, 162227}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{59586, 48799, 44856}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{137490, 89522, 41176}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{132198, 110672, 76982}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{141926, 124502, 99416}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{75854, 67794, 1}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{41031, 36948, 21685}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{80575, 79526, 69664}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{40538, 32933, 28970}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{150927, 110620, 68178}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{28582, 26755, 21674}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{197021, 176539, 131728}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{117663, 79640, 73618}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{68003, 59044, 46117}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{1, 26659, 1}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{79536, 83245, 71894}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{30206, 27603, 19989}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 1, 1}, {"Tuberonic acid [ C12 H18 O4, \
db=70.37, overall=70.39, mfg=70.42, Lipid ID=LMFA02020007, KEGG ID= ]", ""}}, 
   {594.3415, 9.460033, "Meta"} -> {{23786, 26679, 18960}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, mfg=91.75, HMP \
ID=HMDB04159, KEGG ID= ]", ""}}, {630.1262, 9.475205, "Meta"} -> 
    {{66805, 31227, 48520}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{64908, 38416, 34402}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{28219, 27414, 19690}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{420316, 353107, 259058}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{93855, 89013, 64747}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{296499, 154381, 120821}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{66128, 55747, 42588}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{78196, 68692, 51011}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{1, 1, 1}, {"9-oxo-2E-decenoic acid [ C10 \
H16 O3, db=81.85, overall=81.89, mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {480.2357, 9.669027, "Meta"} -> {{30453, 27105, 20610}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{176634, 168772, 122843}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{57714, 93737, 70448}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1841999, 1802131, 1348411}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{35896, 30526, 23214}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{69721, 71728, 73902}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 1, 1}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, db=76.39, overall=76.75, mfg=44.61, \
KEGG ID=, CAS ID=294213-87-9 ]", "294213-87-9"}}, 
   {422.2306, 9.762639, "Meta"} -> {{252594, 252554, 183721}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{13621, 1, 1}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{29699, 1, 1}, {"16a-Hydroxydydrogesteron\
e glucoronide [ C27 H36 O9, db=51.65, overall=44.97, mfg=38.30, KEGG ID=, CAS \
ID= ]", ""}}, {386.1765, 9.765556, "Meta"} -> {{413833, 393152, 285806}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{69281, 63839, 39744}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{491409, 306608, 222507}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{33354, 24115, 16345}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{69858, 80679, 80021}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{63002, 63305, 45810}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{171162, 162942, 110108}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{59067, 46290, 46119}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{196647, 178092, 127444}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{89090, 75084, 1}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{50157, 60724, 61273}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{172333, 161013, 112288}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{635463, 583733, 457160}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{36919, 37584, 28494}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{17043, 11487, 1}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{1, 1, 1}, 
     {"17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-gl\
ucuronide [ C27 H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS \
ID= ]", ""}}, {186.1256, 9.981147, "Meta"} -> {{351406, 365728, 323152}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{116620, 109920, 107930}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= \
]", ""}}, {216.1362, 9.984428, "Meta"} -> {{99966, 90675, 83873}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{141782, 174524, 161255}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{50562, 1, 32023}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{153392, 131873, 83760}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{1.*^7, 9384864, 6923492}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{28783, 26082, 23110}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{360057, 358704, 279420}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{58610, 64169, 51849}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{117244, 119050, 95096}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{311876, 309953, 264136}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{45769, 40281, 32148}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{35922, 38347, 31738}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{74620, 51942, 27067}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{36498, 35780, 24495}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{78118, 76829, 72901}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{50175, 54917, 47255}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{58249, 49924, 35202}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{85862, 66027, 65150}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{810436, 806130, 632603}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{27841, 26079, 1}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{145980, 135609, 92371}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{57362, 51174, 34164}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{36699, 25669, 1}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{51602, 48976, 30658}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{593554, 539430, 412699}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{91712, 85877, 66314}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{89426, 87709, 56839}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{57013, 43171, 35924}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{510767, 488412, 370135}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{1, 30688, 15755}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{195654, 168442, 126841}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{27392, 217597, 220134}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{768964, 2072700, 1465601}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{147491, 389750, 272601}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{665571, 640164, 533911}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{74707, 70611, 52083}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{69696, 62666, 47323}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{51613, 47914, 37380}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{24685, 24141, 1}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{29121, 25185, 17271}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{108118, 106498, 94690}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{38447, 36977, 24637}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{22909, 23665, 16068}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{160216, 150254, 104480}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{30549, 26330, 19483}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{45814, 38688, 26826}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{225382, 196113, 135929}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{14616, 19093, 1}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{24128, 25732, 15549}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{459990, 454807, 359194}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{47124, 39356, 35912}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{70885, 72294, 59018}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{41330, 35787, 19040}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{157541, 144852, 115735}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{34943, 30188, 23964}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{39731, 32033, 1}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{124828, 115690, 83572}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{1, 29461, 1}, {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", 
      ""}}, {504.2037, 10.607943, "Meta"} -> {{35522, 26518, 24188}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1127126, 926702, 709951}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{47172, 49499, 31557}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{88244, 80083, 63069}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{216342, 164068, 142608}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{1, 77883, 41047}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{89045, 91055, 69688}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{924988, 883261, 699144}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{176054, 198500, 159990}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{36198, 35719, 28140}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{354808, 320252, 255390}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{32122, 23495, 1}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{173142, 159989, 123131}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{184702, 170265, 135507}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{45626, 44839, 31646}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{137288, 136784, 97052}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{71231, 63078, 47806}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{572689, 584384, 450649}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{31040, 27531, 20782}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{47665, 41956, 25708}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{31046, 45381, 26640}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{198622, 170841, 121391}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{155727, 154078, 114283}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{144819, 118069, 101169}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{460153, 434135, 312656}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{19261, 40049, 22879}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{139311, 117770, 83008}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{98867, 87458, 64729}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{28914, 28343, 29350}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{158073, 145927, 114225}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{22644, 22621, 16594}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{51270, 57603, 1}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{86186, 81611, 59946}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{20875, 19742, 13175}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{50415, 49014, 37319}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{26919, 1, 19425}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{21058, 1, 1}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{51339, 51121, 31904}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{432634, 405858, 406682}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{26256, 18035, 14323}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{173190, 165977, 133355}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{540768, 494649, 507992}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{20712, 25746, 1}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{21406, 21268, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{456515, 429030, 337393}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{35628, 34205, 19969}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{20492, 16364, 12049}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{92771, 77225, 42803}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{70920, 65931, 49178}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{137035, 137062, 1}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{41058, 35766, 26651}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{29581, 24812, 20455}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{13656, 11169, 13498}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{36846, 29080, 29873}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1907839, 1607346, 1637255}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{18287, 19184, 19172}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{82255, 81191, 81182}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{24036, 20582, 1}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{613999, 541390, 405829}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{84126, 84753, 57202}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{100196, 94717, 75955}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{69553, 84450, 53923}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{35409, 48050, 24332}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{230453, 1, 178546}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{109649, 101820, 69980}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{60981, 53076, 40692}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{24046, 30990, 1}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{30888, 25850, 14028}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{130551, 130925, 103178}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{126610, 128234, 106006}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{5332231, 5035077, 3741434}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{46569, 44207, 33371}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{32076, 29758, 30928}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{12115, 13074, 11253}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{39169, 39738, 30910}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{96917, 90365, 76878}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{271746, 256631, 207369}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{45156, 47592, 36597}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{49693, 52177, 48407}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{22776, 38798, 23569}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{66457, 53148, 46541}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{149562, 130416, 96712}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{42884, 39097, 28095}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{64463, 73384, 46028}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{180722, 145171, 125483}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{147298, 139884, 92639}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{49091, 52884, 45286}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{76456, 67685, 66813}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{14894, 13932, 11383}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{287953, 300701, 205814}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{32942, 30374, 21238}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{38995, 37300, 1}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{28522, 22284, 23816}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{190890, 188963, 149830}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{1541696, 1458077, 1040703}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{49187, 53566, 52848}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{191645, 159521, 122403}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{159168, 153736, 107081}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{54973, 38590, 33989}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{61721, 63703, 53355}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{185276, 177646, 126705}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{41098, 30214, 31954}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{57910, 47938, 35710}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{11732, 1, 1}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{339353, 331754, 245203}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{85326, 88419, 76181}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{1, 33863, 22378}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{109219, 101984, 79772}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{54076, 53801, 46899}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1610737, 1542775, 1158081}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{22890, 1, 15571}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{15664, 16519, 10730}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{94534, 85718, 60337}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{114852, 116693, 88115}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{35542, 27343, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{172003, 154637, 119963}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{265262, 222535, 160110}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{66758, 45243, 39956}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{75083, 69342, 55346}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1709588, 1629090, 1243526}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{117942, 110349, 82309}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{40698, 44499, 34006}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{616607, 569493, 426348}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{78942, 77481, 64644}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{15592, 22061, 17396}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{311994, 280029, 214606}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{58959, 54642, 48064}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{17659, 31391, 15767}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{63942, 69101, 62935}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{110467, 108114, 89356}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1702980, 1660140, 1336603}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{120375, 118885, 80698}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{47731, 36127, 33508}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{221837, 76055, 57249}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{55392, 1, 35895}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{190358, 164212, 142594}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{72650, 72411, 1}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{18519, 18920, 1}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{24431, 26126, 16958}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{347504, 330053, 241203}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 63443, 60112}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{29937, 28540, 26025}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{213671, 193913, 135327}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{32423, 29159, 21151}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{110266, 100974, 78885}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{23448, 29490, 15256}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{209437, 248524, 257494}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{36079, 37057, 1}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{411790, 389892, 279381}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{28965, 27240, 21750}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{64148, 59911, 45175}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{352919, 358668, 372554}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{54398, 51509, 33218}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{30777, 25503, 21738}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{77970, 82467, 62528}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{239672, 233635, 181160}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{30594, 1, 26481}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{165682, 151178, 122839}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{19622, 1, 16431}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{83082, 1, 27794}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{120682, 107767, 62129}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{307049, 283529, 229023}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{1, 2.43*^7, 1.8*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{315693, 297063, 239526}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{660916, 646717, 528699}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{61726, 64427, 53117}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{140807, 118106, 89235}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{32908, 25066, 19327}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{31924, 30882, 27500}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{17395, 19083, 1}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{131940, 115579, 84319}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{65908, 64456, 42551}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{19927, 42466, 12587}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{39769, 33145, 23420}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{49330, 47299, 33287}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{32805, 48784, 20840}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{274230, 275191, 211705}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{44878, 49278, 43514}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{31143, 29869, 21414}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{29874, 27985, 32612}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{59849, 52859, 42840}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{75397, 65544, 49567}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{41339, 37073, 26969}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{707322, 686808, 555246}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{26501, 26817, 20329}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{85821, 77851, 61210}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{60620, 45793, 34960}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{252379, 254852, 260267}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{50587, 47404, 44241}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{80178, 72280, 55473}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{48159, 40725, 40193}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{20890, 21201, 15927}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{22600, 19381, 16528}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{67791, 60165, 43721}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{1, 72473, 38739}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1462793, 1280245, 953789}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{157675, 147393, 115359}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{28232, 25358, 20393}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{119336, 132805, 91576}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{122881, 119807, 76804}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{75084, 1, 38667}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{89806, 74266, 65275}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{31151, 31973, 23749}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{121536, 110441, 88718}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{31547, 33708, 22698}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2817018, 2626121, 1984479}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{28299, 1, 18799}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{1, 16161, 21440}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{26947, 1, 1}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{209528, 185871, 149306}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{296783, 288589, 227388}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{405713, 417371, 314660}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{1, 1, 1}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=73.27, \
overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {324.211, 12.24494, "Meta"} -> {{37017, 36257, 24334}, 
     {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, db=62.97, overall=63.62, \
mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, {314.2459, 12.245145, "Meta"} -> 
    {{84615, 88855, 65753}, {"Octadecanedioic acid [ C18 H34 O4, db=89.21, \
overall=89.84, mfg=90.47, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {308.1627, 12.250629, "Meta"} -> {{49237, 54136, 37756}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{115222, 98379, 72460}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{286084, 283622, 214265}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{61306, 53222, 49900}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{80887, 80008, 100291}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{32634, 19998, 16069}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{16197, 1, 1}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{466440, 406148, 322081}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{85234, 78251, 61610}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{1, 52519, 38750}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{26352, 29286, 31300}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{51933, 46153, 36086}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{39121, 79376, 1}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{64371, 45900, 45161}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{53055, 50544, 48020}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{65576, 1, 39566}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{36721, 1, 1}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{12455, 72628, 43303}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{40394, 38394, 26531}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{50851, 48182, 37401}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{292418, 282016, 208311}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{444187, 414821, 334278}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{86015, 60138, 54512}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{72647, 25451, 22127}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{54324, 44829, 37597}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{81303, 67260, 58773}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{293973, 263606, 230337}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{22062, 1, 1}, {"17a-Ethynylestradiol \
6-glucuronide [ C26 H32 O9, db=30.98, overall=15.49, KEGG ID=, CAS ID= ]", 
      ""}}, {504.3295, 12.476778, "Meta"} -> {{46912, 43276, 25982}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{390291, 341079, 262110}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{34456, 1, 18735}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{142858, 139233, 104642}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{103635, 102379, 87096}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{118347, 106353, 93940}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{83713, 80333, 57439}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{9307342, 8156198, 6242488}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{282444, 258426, 226868}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{18625, 21147, 15467}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{78042, 64241, 69772}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{34167, 28701, 17634}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{68530, 59640, 25967}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{1, 1, 27514}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{3565027, 3172075, 2494032}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{23604, 25184, 22180}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{54876, 46350, 37313}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{47510, 56750, 42669}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{53987, 42536, 36258}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{27939, 28971, 17710}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{27725, 30533, 28793}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{150308, 150771, 133576}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{55946, 50971, 42837}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{1, 49685, 1}, {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", 
      ""}}, {270.2192, 12.44093, "Meta"} -> {{68709, 1, 48202}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{189574, 150329, 116193}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{28382, 25013, 18905}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{34776, 28474, 19438}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{178330, 177801, 63423}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{458077, 436864, 267938}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{59909, 1, 42417}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{22941, 26475, 14615}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{114151, 115674, 86662}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{74526, 69441, 49741}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{69536, 65795, 53358}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{61260, 52751, 49879}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{598779, 539244, 449764}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{25853, 1, 12824}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{63611, 47972, 49086}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{17543, 36981, 1}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{147023, 142067, 146088}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{54844, 1, 48884}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{50506, 47608, 30153}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{4066999, 3960873, 2901284}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{38051, 34285, 23392}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{59456, 55352, 46749}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{34587, 34720, 26463}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{181714, 185610, 152989}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{26641, 27316, 18758}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{37526, 36960, 25916}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{33729, 32609, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{22042, 24284, 20590}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{35198, 39713, 32063}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{54223, 45492, 38015}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{190403, 187066, 153648}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{122211, 108166, 80010}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{129954, 122766, 85582}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{61038, 1, 46168}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{463580, 447132, 351496}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{118259, 101334, 85933}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{40098, 31571, 1}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{121179, 118491, 98643}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{37439, 32968, 25216}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{169761, 149455, 170157}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{401232, 371720, 251063}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{1, 42547, 22573}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{31007, 477406, 249493}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{206031, 207472, 153182}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{35691, 36956, 35528}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{1, 424653, 1}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{114630, 97538, 86004}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{1, 1, 23498}, {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", 
      ""}}, {370.1814, 12.601705, "Meta"} -> {{354363, 266667, 201013}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{22781, 96157, 18378}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{1, 191618, 81662}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{20897, 20937, 1}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{273632, 259209, 247078}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{1, 105689, 68314}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{56678, 62786, 37452}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{157788, 140532, 122843}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{21176, 20923, 16070}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{1, 41919, 1}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{304435, 297915, 211887}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{279237, 490576, 189190}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{567929, 450495, 458851}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{196350, 166930, 133527}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{293612, 265469, 201987}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{129109, 120798, 83184}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{259768, 231305, 202554}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{1, 62612, 1}, {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", 
      ""}}, {499.2703, 12.713068, "Meta"} -> {{1, 117164, 79550}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{163378, 184653, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{32120, 30441, 21182}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{70057, 66968, 43482}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{25667, 23533, 21742}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{111161, 104569, 82600}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{627604, 592866, 459579}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{30673, 18118, 20052}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{332746, 305857, 308021}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{25654, 1, 20128}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{32316, 34041, 1}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{31472, 311690, 208886}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{1, 70344, 56342}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{63701, 59101, 46822}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{72756, 784410, 599028}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{430976, 414425, 298489}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{44289, 54970, 31815}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{1, 1, 31081}, {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", 
      ""}}, {472.1768, 12.765059, "Meta"} -> {{66310, 57713, 39121}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{66120, 72905, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{185997, 183640, 121078}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{1, 36959, 19404}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{46544, 48524, 35650}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{502449, 454071, 372833}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{71136, 54722, 52601}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{202788, 206620, 150546}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{17865, 16506, 15470}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{2410526, 2153112, 1670225}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{356094, 307870, 237506}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{17429, 13749, 1}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{34416, 31140, 24611}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{48278, 47924, 34945}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{1, 1, 12122}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{1, 154255, 121794}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{1, 47811, 33741}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{64757, 63080, 37772}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{67453, 840071, 494441}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{85056, 72764, 57800}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{37047, 25036, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{236150, 213195, 184745}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{1, 167557, 79923}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{27844, 1, 16572}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{1, 67006, 47913}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{206617, 188491, 154112}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.09*^7, 1.92*^7, 1.39*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{188759, 172559, 121308}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{690993, 657627, 560464}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{90624, 67467, 45292}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{256523, 179366, 181198}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{47523, 32185, 27860}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{62050, 67046, 42717}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{44652, 31359, 37420}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{80410, 79749, 1}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{117319, 66490, 63949}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{35122, 57588, 36121}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{47176, 50444, 35538}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{1, 30085, 1}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{46724, 60655, 38382}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{16596, 14460, 11330}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{25999, 1, 1}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{49315, 627417, 137381}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{215669, 173668, 130827}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{30224, 30365, 19585}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{17390, 45479, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{1, 27793, 1}, {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", 
      ""}}, {889.5133, 12.89332, "Meta"} -> {{1, 75606, 20893}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{1, 62941, 1}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{16506, 56254, 26241}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{41466, 39580, 23947}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{999039, 872021, 654374}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{1, 20364, 11971}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{1, 114912, 105897}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{64955, 45178, 39101}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{20440, 86454, 113197}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{379305, 490770, 275098}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{1, 37531, 1}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{165882, 176080, 117250}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{1, 265768, 1}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{516634, 497205, 351428}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{35586, 47587, 1}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{66488, 66056, 39062}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{96933, 2189812, 154162}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{1, 25351, 100702}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{255496, 2431470, 1}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{1, 20506, 15558}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{1, 18451, 1}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{1, 45323, 1}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{46099, 70954, 35778}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{92223, 77845, 61619}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{633675, 604875, 427139}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{1, 150530, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{43924, 58055, 35643}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{157445, 115455, 99117}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{1, 58448, 1}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{32861, 904738, 49459}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{1, 22899, 14386}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{160552, 174309, 104815}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{1, 234770, 1}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{21829, 263587, 88390}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{80879, 106290, 58111}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{1, 77737, 1}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{1, 31643, 1}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{98861, 1309724, 489889}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{183206, 134172, 133868}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{25216, 131755, 84788}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{43253, 32593, 48465}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{1, 117753, 1}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{13363, 101765, 41474}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{84407, 32224, 53284}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{163149, 123998, 89386}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{52192, 72727, 45022}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{1307570, 820073, 775605}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{1, 195720, 60914}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{41281, 1, 31124}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{19674, 31640, 32836}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{1, 53814, 35749}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{1, 312788, 1}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{1, 158385, 69403}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{34426, 42489, 26596}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{1, 65840, 1}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{1, 42621, 17551}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{140440, 144590, 98078}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{78711, 36374, 42244}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{1, 188743, 73845}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{1, 63020, 20689}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{13087, 291115, 131661}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{260104, 1750748, 724859}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{49684, 72648, 42921}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{1, 52196, 1}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{1, 88011, 25627}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{253937, 1627788, 678416}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{108182, 1965397, 1093939}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{1, 80529, 1}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{48344, 107931, 78252}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{52219, 564643, 191236}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{89927, 120032, 94020}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1705369, 7969163, 7062774}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 55443, 54338}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{2140815, 2009355, 1521586}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{294933, 261815, 202533}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{13637, 34127, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{1, 85794, 23033}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{273131, 369068, 279913}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{1, 104080, 71794}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{1, 19582, 35770}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{16261, 32660, 26622}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{65134, 1072396, 778583}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{118834, 86609, 78826}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{566159, 2442079, 2074183}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{23078, 266712, 38701}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{68310, 84676, 78724}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{20674, 27056, 31057}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{61259, 61639, 44493}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{1, 53918, 31546}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{4710689, 2201604, 2311693}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{62642, 385299, 258746}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{297423, 265441, 205415}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{1058582, 653086, 748216}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{845579, 414392, 396206}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{1, 225615, 1}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{114178, 103839, 113122}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{31813, 34091, 1}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{1, 2984292, 694256}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{1, 239775, 22740}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{1, 60113, 94709}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{130516, 102751, 71027}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{1, 469960, 30518}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{1, 760109, 122541}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{1, 171070, 1}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{1, 77984, 50385}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{1, 119601, 12674}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{21873, 21695, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{314187, 339351, 230733}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{300632, 347942, 218644}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{34530, 26991, 28662}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{39717, 60064, 40049}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{171324, 92622, 113550}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{186365, 130377, 158179}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{199874, 94293, 101518}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{183118, 90900, 90803}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{30972, 60712, 35433}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{137872, 140012, 94230}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{1, 23232, 1}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{147358, 49441, 195577}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{1, 105468, 37854}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{25969, 80307, 73222}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1, 469947, 71330}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{1, 30096, 1}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{41685, 21210, 1}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{1, 42764, 1}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{1, 105915, 1}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{1, 18826, 1}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{1, 68993, 1}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{30419, 31450, 23572}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{136781, 99052, 85474}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{420450, 198995, 240165}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{1, 24415, 1}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{1, 96056, 1}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{1, 34424, 27376}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{49740, 52923, 45277}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{1, 44811, 1}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{75640, 95698, 45041}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{1, 36501, 1}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{154142, 70414, 80373}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{28071, 21628, 20770}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{1, 295904, 1}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{24535, 28485, 108931}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{164950, 2476505, 310423}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{1, 81638, 1}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{26524, 192814, 58177}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1, 1689934, 232243}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{20134, 378348, 41538}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{159799, 3885530, 983918}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{23682, 83931, 51949}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{2293376, 1.32*^7, 5114009}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{20704, 165850, 50401}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{20376, 17819, 1}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{365677, 290831, 317583}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{457867, 386592, 447744}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{1, 35946, 28618}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{296904, 164510, 204292}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{1, 83814, 76324}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{71276, 115681, 223307}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{47977, 60855, 59528}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{23649, 20441, 1}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{81044, 120011, 62132}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{49131, 16484, 29359}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{114264, 146557, 80273}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{24922, 22633, 1}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{2011221, 671098, 1104658}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{1, 124015, 1}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{25165, 1, 1}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{26794, 48348, 24620}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{1, 320644, 56187}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{26320, 760248, 242371}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{1, 43873, 16811}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{163354, 135124, 118363}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{297910, 1984450, 1093661}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{1, 143276, 54634}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{43419, 69238, 34571}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{29075, 37724, 50976}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{738387, 275493, 381382}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{1, 339110, 147828}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{1, 73923, 106303}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{160093, 102189, 101842}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{1, 28779, 40270}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{86302, 97904, 68444}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{819934, 664730, 574324}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{51876, 77739, 44317}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{321828, 379927, 281578}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{79739, 85301, 58988}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{178694, 99006, 311184}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{1, 52336, 1}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{110937, 35122, 68413}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{1, 77622, 24344}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{1, 172471, 32104}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{46552, 61268, 37997}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{68884, 394675, 114423}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{1, 28214, 1}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{446618, 215160, 260841}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{133046, 1720979, 306514}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{1, 18260, 14130}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{1, 79363, 1}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{34772, 37699, 37030}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{162029, 152386, 129306}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{278404, 173251, 226577}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{46440, 70842, 50575}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{24012, 26290, 1}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", 
      ""}}, {492.3272, 13.347747, "Meta"} -> {{216619, 88689, 135618}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{233066, 115952, 151412}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{1, 26577, 15152}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{1, 105667, 1}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{1, 38932, 1}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{1, 457833, 71916}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{433078, 511816, 295675}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{1, 37534, 24957}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{1, 68740, 1}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{1, 164385, 42425}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{1, 198877, 1}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{41342, 36307, 19394}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{31874, 2059829, 408876}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{888627, 9384097, 3467169}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{1, 1, 35177}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{58985, 56747, 42414}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{1, 98157, 56298}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{1, 147836, 1}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{1, 36686, 30413}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{56972, 49606, 34423}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1062304, 2825700, 806697}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{1, 163591, 27558}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{67568, 406294, 136771}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{14050, 95703, 12090}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{469973, 285114, 346945}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{100687, 131210, 82343}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{1, 168614, 21797}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{192866, 67616, 106241}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{740716, 1125691, 682310}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{1, 182877, 10542}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{1, 104219, 1}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{1, 156445, 37176}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{1, 67059, 13853}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{1, 86080, 1}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{100408, 524877, 238755}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{42637, 41339, 43164}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{1, 25974, 1}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{64556, 89206, 62225}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{142839, 52570, 84698}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.04*^7, 1.25*^7, 8619961}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{1, 50890, 15189}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1594668, 1812970, 1348076}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{1, 25238, 19906}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{1, 24053, 36478}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{84892, 74275, 62093}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1150941, 1627592, 1099252}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{1, 24661, 1}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{61451, 49770, 49889}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{1, 99403, 53545}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{100051, 61153, 76416}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{83229, 110007, 76741}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{1, 35816, 1}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{1, 74547, 1}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{86753, 135198, 253173}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{147043, 88557, 125823}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{1, 40227, 1}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{1, 36454, 1}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{1, 58603, 1}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{709424, 2254288, 527445}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{86883, 153111, 54316}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{1, 241383, 1}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{34291, 99862, 27421}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{22020, 13282, 1}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=75.81, \
overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{88478, 100725, 59680}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{62250, 1, 24792}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{1, 75972, 1}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{1, 378675, 52854}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{66499, 67354, 43479}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{1, 1, 30869}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{124485, 1, 1}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{52025, 1, 93215}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{151922, 571516, 141036}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{53074, 158868, 39895}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{1037929, 1907080, 896573}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{1, 20129, 1}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{1, 48110, 1}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{1, 197097, 1}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{99555, 67418, 89886}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{1, 37211, 1}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{1, 135299, 1}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{1, 40248, 1}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{17398, 318304, 81880}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{1, 29158, 1}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{1, 23592, 1}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{1, 248328, 1}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{1, 147885, 1}, {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", 
      ""}}, {569.3693, 13.525403, "Meta"} -> {{90628, 1353936, 181361}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{1, 50856, 1}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{13836, 37412, 1}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{1, 53891, 1}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{1, 27151, 1}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{1, 131649, 1}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{37163, 1515593, 114093}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{1, 255091, 1}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{18414, 41793, 1}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{60927, 44945, 42326}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{1, 78002, 1}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{1, 215637, 1}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{48445, 41590, 35728}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{47398, 34497, 27253}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{86438, 51411, 103848}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{1, 106422, 1}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{1, 30735, 1}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{1, 30691, 1}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{1, 120403, 1}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{1, 31906, 1}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{1, 68499, 1}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{1, 61757, 1}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1, 463228, 17721}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{26290, 40954, 18260}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{1, 55913, 1}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{4026956, 5257251, 2671082}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{16920, 23351, 13129}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{18453, 26710, 1}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{567925, 686178, 369828}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{740099, 1525213, 583370}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{35125, 32488, 23229}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{1, 21573, 1}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{24873, 23552, 17399}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{39538, 46108, 35045}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{51928, 70819, 38381}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{8848229, 1.03*^7, 6891475}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{437819, 541867, 342445}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{46021, 31481, 23960}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1162663, 1368768, 958228}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{93591, 117247, 58738}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{1, 29766, 1}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{26225, 1, 23584}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{72844, 22629, 32679}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{14887, 193842, 16560}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{745362, 2051966, 694262}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{81921, 113034, 71860}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{1, 50537, 1}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{169487, 211701, 330525}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{18507, 17546, 18247}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{97647, 1, 58292}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{1, 456566, 1}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{1, 31438, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{31106, 57128, 27267}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{1, 444303, 75950}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{17880, 1, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{1, 350124, 19613}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{1, 30603, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{35843, 27891, 16001}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{1, 57549, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{1, 23225, 1}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{56730, 49906, 44912}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{1, 17977, 1}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{439320, 1011233, 113719}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{1, 187548, 20024}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{1, 52600, 1}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{1, 127658, 8173}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{1, 28373, 46081}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{1, 96875, 24754}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{57605, 33036, 1}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{26091, 1030283, 80423}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{1, 29478, 1}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{1, 1, 21255}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{1, 13913, 18182}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{71470, 100690, 43594}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{139071, 286164, 101497}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{22741, 45534, 16103}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{1, 9392, 1}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{1, 107546, 13430}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{1, 47568, 13624}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{69564, 52004, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.54*^7, 1.88*^7, 1.21*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{65058, 64819, 40606}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{110713, 70806, 1}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{109720, 88438, 71376}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{77589, 92073, 72152}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{14767, 36834, 1}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{455248, 258414, 301217}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{29821, 34970, 21831}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{74253, 46880, 46399}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1718697, 1759218, 1361160}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{170221, 301707, 154523}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{63391, 41389, 64052}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{204550, 109814, 167562}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1884767, 2017208, 1184891}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{132058, 144604, 86582}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{94777, 210643, 78300}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{20022, 45950, 19901}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{154026, 76243, 74921}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{1, 17282, 56373}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{1, 184418, 1}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{1, 24646, 1}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{39794, 1, 24205}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{26026, 1, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{1, 33183, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", 
      ""}}, {242.2248, 13.660813, "Meta"} -> {{628571, 918558, 562284}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{1, 26973, 15984}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{72469, 345868, 1}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{99157, 178695, 90823}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{1, 67147, 21722}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{110861, 97692, 97201}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{1, 14798, 1}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{1, 182373, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{106756, 1374879, 129336}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{50501, 22526, 33557}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{56948, 47435, 38089}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{1, 85916, 42458}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{1, 70350, 45968}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{66412, 154317, 61231}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1, 1369294, 104345}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{45741, 42744, 30512}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{79694, 26155, 53424}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{1, 405659, 1}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{107027, 104374, 72040}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{1, 67517, 1}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{1, 42624, 1}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{157482, 78429, 110628}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{1, 21933, 1}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{186929, 4502353, 225177}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{35203, 322939, 104669}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{16289, 50824, 18497}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{17307, 33232, 1}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{32625, 68069, 25018}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{1, 235536, 1}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{52804, 23858, 1}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{1, 141740, 1}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{551108, 792246, 514034}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{1, 54049, 1}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{1, 68251, 1}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{90998, 54827, 55074}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{1, 9387, 1}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{1, 318639, 42912}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{1, 12808, 1}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{1, 17700, 1}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{1, 248867, 1}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{1, 65064, 18873}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{1, 26315, 1}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1, 850963, 151441}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{1, 93736, 36828}, {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic \
acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=44.55, \
overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{1, 3216067, 37735}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{16001, 893272, 112834}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{1, 203097, 1}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{1, 16658, 1}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{1, 94412, 1}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{1, 35570, 12398}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{1, 41689, 1}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{1, 60297, 44325}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{1, 26198, 1}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{584696, 168598, 328149}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{280063, 728355, 201097}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{44323, 95259, 36543}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{26719, 1215121, 1}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{1, 12088, 1}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{1, 25666, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{13803, 59853, 24642}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1353327, 1912209, 1086035}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{1, 78627, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", 
      ""}}, {694.5558, 13.729958, "Meta"} -> {{1, 80739, 1}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{1, 106525, 1}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{29265, 21204, 24184}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{25611, 80872, 175409}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{1, 19072, 1}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{1, 21650, 1}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{1, 119218, 1}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{1, 538460, 1}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{226087, 265845, 183654}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{1, 39608, 1}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{1, 26550, 1}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1, 1302912, 21216}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{264546, 4571539, 746857}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{249993, 275756, 245791}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{1, 81191, 1}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{1390242, 1277341, 1300474}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{126654, 71020, 99956}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{488778, 330667, 508632}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{116124, 129054, 159015}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{67763, 91455, 63479}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{75200, 54349, 72496}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{19038, 27499, 11799}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{25966, 42598, 26425}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{30129, 130479, 1}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{495175, 554954, 383503}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{1, 2.49*^7, 1.71*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{1, 283128, 22376}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{1, 37253, 28303}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{237591, 836354, 271788}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{6862923, 9010168, 6224684}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{202588, 45690, 181527}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{1, 123302, 1}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{35584, 13288, 21631}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{394836, 345541, 301191}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{234870, 91302, 174844}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{115468, 367739, 129369}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{266830, 110740, 196482}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{1, 26107, 1}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{1, 62753, 1}, {"1-(8Z,11Z,14Z-eicosatrieno\
yl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H74 O5, db=90.28, \
overall=90.44, mfg=90.61, KEGG ID=, CAS ID= ]", ""}}, 
   {364.2172, 13.803227, "Meta"} -> {{153363, 56174, 106552}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{1, 13049, 1}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{241574, 119334, 194423}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{1, 37586, 1}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{1, 165689, 1}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{249705, 124565, 174711}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{1, 638620, 37120}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{363057, 1981776, 505315}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1, 1330299, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{148500, 182992, 137590}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{1, 48094, 1}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{336313, 165156, 294050}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{1, 24226, 1}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{33618, 58283, 31508}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{51845, 2110575, 125562}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{1, 86756, 14951}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{940991, 305824, 628280}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{1, 85767, 1}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, overall=54.22, \
mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{23049, 1242657, 80196}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{1, 60269, 1}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{1, 280874, 1}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{47334, 73011, 1}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{242151, 85514, 220475}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{210112, 150787, 206581}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{81170, 35960, 41090}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{1, 61138, 32470}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{1, 162685, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1713486, 1765473, 1474439}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{140793, 118904, 98446}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{1, 162197, 1}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{1, 367243, 1}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{1, 2541434, 1}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{210498, 246165, 236041}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{21134, 23802, 17263}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{1, 80445, 1}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{106705, 184778, 76506}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{89927, 74586, 75471}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{174959, 189353, 146987}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{92836, 75687, 151672}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{1, 11781, 1}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{24075, 17395, 21351}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{840319, 294398, 340272}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{31198, 37669, 30700}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{37354, 1, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{34058, 1, 15251}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2410482, 2577142, 2374135}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{1, 338477, 18806}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{79714, 1, 33046}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{48159, 1, 20035}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{48642, 1, 20571}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{341521, 51353, 121519}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{110036, 14277, 33951}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{68506, 1, 27587}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{104331, 12477, 41176}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{69912, 1, 30950}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{210789, 252764, 194642}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{1, 167383, 274032}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{26874, 1, 54731}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 24915, 36263}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{173150, 1, 64353}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{24605, 1, 1}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{36468, 1, 15496}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{397355, 276000, 256799}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{1, 95115, 50252}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{1, 30276, 1}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{367986, 294456, 266682}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{72205, 129072, 1}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{1, 48296, 1}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{28845, 35106, 30762}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 40855, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{1, 72297, 33551}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{1, 387316, 1}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{54474, 42149, 41950}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{434957, 3707721, 435579}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{1, 73125, 1}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{1, 205907, 38779}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{66500, 56603, 59067}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{178498, 138115, 130738}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{1, 14280, 1}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{498850, 552980, 373168}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{1, 140072, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{1, 37106, 11765}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{19294, 57991, 1}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{17719, 16161, 18005}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{204551, 222647, 168287}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{53065, 78384, 66135}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{431891, 288879, 330429}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{1, 148208, 1}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{22571, 504133, 125804}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{150108, 133430, 111681}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{1, 102801, 1}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{143532, 115621, 123258}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{1, 731928, 1}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{1, 47953, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1, 476196, 25402}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2124355, 2283102, 2119503}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{1596886, 1143529, 1029427}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{1, 56538, 1}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{42741, 70060, 61734}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{19112, 512669, 25914}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{1, 18818, 1}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{72312, 379405, 54223}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{1, 37262, 1}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{64118, 38221, 35605}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{59036, 161364, 41593}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{30053, 50563, 22535}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{25612, 23925, 1}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{58550, 70851, 57398}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{364770, 503681, 390341}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{3.27*^7, 5.59*^7, 2.86*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{15542, 51264, 18259}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{76407, 1, 74943}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{1, 42161, 1}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{1, 16705, 1}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{86854, 92068, 34149}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{63662, 43213, 28726}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{135002, 172547, 130876}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{20160, 40027, 16260}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{11105, 25894, 1}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{1, 27955, 1}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{114320, 84666, 77100}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{115260, 126617, 97853}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{283019, 245730, 271155}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{1, 65258, 49790}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{2941195, 3683691, 2746325}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{31597, 1, 22836}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{82641, 112027, 85136}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{52067, 1, 28075}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{50379, 35026, 55693}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{1, 51984, 35745}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{1, 14529, 1}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{44773, 53783, 49347}, 
     {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{50430, 71404, 37658}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{89758, 129852, 52777}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{50498, 107901, 35496}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{35639, 344701, 29039}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{1, 56078, 1}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{1, 32441, 1}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{1, 79351, 1}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{44373, 30022, 34211}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4428427, 6097498, 3320673}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{11122, 19219, 1}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{1777326, 1065945, 1781462}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{43875, 237153, 52326}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{384156, 1, 222806}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{78880, 122072, 74175}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{339786, 276693, 306442}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{91963, 75802, 68969}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{66448, 55169, 61040}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{58367, 1, 49912}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1, 1640695, 1}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{1, 90712, 92311}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{1, 181158, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{1, 25432, 1}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{28911, 1, 22424}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{613940, 447917, 503227}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{1, 30125, 18329}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{1, 93830, 1}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{124518, 105085, 97493}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{1, 56221, 1}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{1, 199342, 10814}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{51128, 67108, 40845}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{51254, 51131, 37925}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{17298, 443430, 26283}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{89193, 25381, 1}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{2881465, 1289860, 381080}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{28951, 62720, 28153}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{1, 69051, 1}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{20443, 51294, 16447}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{106007, 333007, 119475}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{387648, 386843, 319751}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{215383, 201933, 145699}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{1, 45849, 1}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{16117, 324545, 1}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{1, 285072, 16705}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{524693, 355716, 1}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{37238, 185853, 198170}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{111797, 2096397, 1}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{18880, 135312, 1}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{47021, 44649, 42921}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{538299, 590789, 442776}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{795560, 1630099, 776889}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{1, 322452, 1}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{192380, 165472, 146445}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{155762, 114071, 64301}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{899610, 1111071, 851045}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{413302, 669106, 333506}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{18611, 31750, 15883}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{51491, 29146, 11509}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{69753, 62815, 82132}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{37661, 26931, 40566}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{83886, 67295, 78816}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{157774, 160802, 154954}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{100713, 66116, 135851}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{6.62*^7, 9.05*^7, 5.93*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{119998, 67438, 59537}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{1, 29427, 19437}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{51259, 34897, 34759}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{28708, 118718, 26027}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{84690, 58197, 88203}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{16204, 21057, 13336}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{37536, 37995, 37112}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{1, 124597, 116523}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{57375, 33394, 40770}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{34337, 28686, 29574}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{142823, 112464, 128149}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{73201, 38471, 70376}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{1, 735573, 1}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{325724, 203348, 327530}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{58979, 1, 55584}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{31873, 30748, 28766}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{21067, 15659, 21902}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{1, 43254, 1}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{165696, 132807, 133500}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{196571, 216109, 196139}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{3274470, 3096974, 2720645}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{1752541, 1493108, 1085248}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{1, 1, 97848}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{1, 54969, 1}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{1, 23129, 1}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{415001, 412501, 428875}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{47438, 50653, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{48632, 32068, 35094}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{1, 302622, 1}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{31393, 22992, 1}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{1, 13364, 1}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{1, 262864, 419873}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{23664, 21186, 1}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{24846, 25435, 19808}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{90249, 88896, 59548}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{419972, 320913, 324492}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{1, 1, 50750}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{86258, 65825, 63299}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{91587, 142360, 74848}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{114499, 280557, 79969}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{735360, 7958943, 1284005}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{119948, 117585, 104606}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{1, 102918, 1}, {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", 
      ""}}, {328.2979, 14.143391, "Meta"} -> {{74163, 279925, 56857}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1, 738370, 1}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{65277, 7962023, 194461}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{75380, 61751, 56019}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1, 556745, 1}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{1, 91628, 1}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{209173, 2332554, 364946}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{1, 22381, 1}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{1, 141278, 1}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{1, 441509, 1}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{867867, 6412620, 1304659}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{1, 35050, 1}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{144921, 127375, 83391}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{33039, 267719, 81938}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{772157, 783860, 551764}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{1, 225202, 17028}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{1, 73934, 8274}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{10908, 20969, 26539}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{74144, 82263, 56208}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{1284822, 2197260, 1009077}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{1, 137715, 31764}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{1, 30760, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{23518, 138968, 29659}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{240140, 197053, 234831}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{1, 55161, 1}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{1, 24413, 1}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{134638, 156330, 123140}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{36724, 1, 1}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{46070, 46195, 24998}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{52081, 1191586, 85312}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{2432991, 899401, 2107452}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{306973, 176362, 244086}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{256576, 133757, 195082}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{62346, 79408, 86556}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{5714695, 4723752, 4045314}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{33892, 138960, 73855}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{20544, 43770, 1}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{1314103, 4497783, 751575}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{376770, 630656, 1}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{1, 108358, 107391}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{1, 23251, 1}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{111467, 80422, 113056}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{202635, 470677, 189423}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{982230, 570047, 525056}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{1, 24098, 1}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{109719, 184581, 81638}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{17525, 52812, 32543}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{112716, 172375, 99505}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{14656, 30383, 45230}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{1, 28314, 1}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=82.32, \
overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{105837, 319292, 249270}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{369967, 335144, 312972}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{56892, 59148, 49690}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{77322, 426666, 129522}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{77936, 112677, 48243}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{73214, 76086, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{88083, 73234, 58359}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{105854, 112451, 78526}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{1, 121076, 1}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{1, 25575, 1}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{262939, 117446, 264157}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{1004095, 2719189, 742846}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{64219, 138801, 45522}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{80716, 62892, 1}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{151884, 413960, 116401}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{64446, 24072, 1}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{338530, 228967, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{279870, 431148, 201376}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{13513, 21866, 11219}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{101945, 245090, 63680}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6412050, 6588048, 4220931}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{264909, 256225, 156604}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{58051, 43210, 56860}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{1, 29167, 1}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{197311, 132206, 120206}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{451570, 595321, 341743}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{88135, 113100, 50963}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{27125, 78188, 16853}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{52515, 139012, 79445}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{51799, 66057, 43073}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{485749, 1051714, 414809}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{72904, 87270, 61404}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{1, 337630, 1}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{32829, 48778, 21759}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{22193, 26664, 1}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{98090, 107617, 89875}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{361442, 592375, 295477}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{38254, 103635, 50015}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{61773, 59977, 36979}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4820238, 5267443, 3786634}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{144219, 208583, 119901}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{116379, 107659, 58737}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2677397, 3098779, 2280098}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{32219, 33930, 17421}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{337973, 379915, 225598}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{29645, 41293, 31540}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{30011, 65247, 30136}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{29869, 103266, 75935}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{1, 381942, 466176}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{60079, 42798, 47190}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{731054, 504075, 261449}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{561248, 506687, 407255}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{5058077, 6484437, 3480201}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{1, 36499, 1}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{42026, 67682, 27807}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{627536, 634958, 413890}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{37640, 40018, 46671}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{111751, 164828, 98475}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{13108, 47850, 1}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho\
lest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{1, 309673, 1}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{1, 79432, 1}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{39265, 116240, 1}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{4247192, 1, 3391380}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{1, 21416, 1}, {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", 
      ""}}, {352.1709, 14.331971, "Meta"} -> {{1, 92425, 37760}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{141974, 401834, 124650}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1, 1168486, 1}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{52379, 63512, 32852}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{57690, 113799, 48442}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{952327, 224376, 684540}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{57693, 137163, 43364}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{12054, 27132, 1}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{181322, 231987, 177606}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{1, 19711, 1}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{32228, 118716, 1}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{1, 33164, 1}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{1, 139825, 1}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{1, 23287, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{99130, 728909, 95176}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{1, 21517, 1}, {"Ubiquinone 8 [ C49 H74 \
O4, db=61.47, overall=63.06, mfg=64.65, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{10749, 69639, 9679}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{48696, 427980, 37759}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{16487, 67969, 18854}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{1.42*^7, 4.29*^7, 1.27*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{1, 72111, 26906}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{17796, 55940, 27310}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{45601, 112466, 43970}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{1, 30492, 1}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{59913, 125724, 75375}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{23755, 60814, 22963}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{1748475, 2182354, 1566952}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{36332, 29952, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{31574, 135020, 19314}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{180753, 321208, 169385}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{244317, 301791, 156020}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1313297, 1335513, 1015788}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{125561, 104557, 105354}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1396816, 2233383, 1496428}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{109949, 287778, 127619}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{82514, 94418, 1}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1764384, 1500232, 1224793}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{163561, 376398, 140822}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{555464, 536243, 453148}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{232216, 753871, 215185}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{1, 28700, 1}, {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", 
      ""}}, {448.2782, 14.412751, "Meta"} -> {{46838, 1, 51922}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{234354, 620843, 224472}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{82720, 39889, 1}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{1, 326723, 1}, {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", 
      ""}}, {540.3808, 14.450665, "Meta"} -> {{31428, 116870, 32029}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{1, 384033, 1}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{1, 488153, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{1952663, 2177296, 1115337}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{427780, 1143746, 1616134}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{60453, 1, 42798}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{729931, 3097017, 630262}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{65470, 37642, 47126}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{19696, 61876, 1}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{1, 1, 39838}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{1, 44433, 1}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{89659, 1, 98182}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{36169, 75150, 61125}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{1548131, 1901662, 1517768}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{1, 39883, 1}, {"3beta,7beta-Dihydroxy-12\
-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, db=40.73, overall=40.55, \
mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, {617.2878, 14.457032, "Meta"} -> 
    {{53768, 28237, 39627}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{98994, 174209, 97051}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{88043, 251400, 85326}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{273939, 346812, 287845}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{293137, 38382, 199910}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{5403636, 3073063, 3827743}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{27532, 43067, 1}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{311447, 919092, 262283}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{1, 39920, 1}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{995950, 1518750, 1128621}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{56890, 307559, 53075}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{1, 1, 1}, {"(20S)-1alpha,25-dihydroxy-2\
0-methoxy-26,27-dimethyl-24a-homovitamin D3 / (20S)-1alpha,25-dihydroxy-2 [ \
C31 H52 O4, db=76.60, overall=77.02, mfg=77.44, Lipid ID=LMST03020502, KEGG \
ID= ]", ""}}, {360.3031, 14.495388, "Meta"} -> {{44327, 153862, 33442}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{1, 34681, 1}, {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", 
      ""}}, {422.3164, 14.500791, "Meta"} -> {{1, 139853, 1}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{1, 173258, 21087}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{2066264, 2006838, 1567753}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{708410, 664864, 451651}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{439973, 565573, 419337}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{85139, 41071, 54102}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{69369, 157653, 56008}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{79665, 88893, 76540}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{69715, 59783, 1}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1856422, 982865, 1368808}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{20294, 97832, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{97077, 261562, 76497}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{83653, 134624, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{860160, 1019684, 719629}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{467450, 544038, 357480}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{69734, 158618, 60415}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{1, 303779, 243254}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{15932, 201350, 1}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{1, 36798, 1}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{19375, 207325, 19603}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{1, 174743, 1}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{17575, 38092, 21741}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1727507, 1838625, 1323803}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{421205, 383322, 162705}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{1, 208141, 34169}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{1627651, 974570, 1095050}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{16926, 96638, 18713}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{19385, 101330, 16223}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{189113, 598736, 172470}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{1, 1, 23453}, {"17-oxo-20Z-hexacosenoic \
acid [ C26 H48 O3, db=62.40, overall=62.48, mfg=62.57, Lipid ID=, KEGG ID= ]"\
, ""}}, {310.1815, 14.585141, "Meta"} -> {{106404, 151320, 1}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{184690, 1, 158248}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{48742, 176932, 42844}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{171049, 1, 1}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{42162, 72115, 33088}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{118412, 1, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{30839, 32085, 1}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{15282, 60217, 1}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{3.22*^7, 2.1*^7, 2.46*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{191846, 225551, 1}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{18421, 20135, 20681}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{113565, 157671, 62894}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{117774, 1, 46721}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{1, 44818, 1}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{1, 83196, 32601}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{1, 35539, 1}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{1, 30694, 1}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{84129, 136227, 62845}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{127658, 74003, 41528}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{158758, 129198, 113231}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{68977, 51560, 49965}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1356246, 1821877, 886840}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 266548, 313435}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{28308, 1, 145876}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{735217, 733749, 553788}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{255510, 109563, 1}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{36623, 616637, 31537}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1225493, 1723699, 1055884}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{52052, 81685, 38312}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{1, 45792, 1}, {"3-Dehydro-6-deoxoteastero\
ne [ C28 H48 O3, db=77.14, overall=77.29, mfg=77.43, Lipid ID=LMST01030125, \
KEGG ID= ]", ""}}, {420.3606, 14.665766, "Meta"} -> 
    {{17386, 76677, 14201}, {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, \
db=84.25, overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{27862, 311524, 26445}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{1, 180991, 1}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{211837, 200086, 133906}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{390208, 571806, 258945}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{1, 45078, 1}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{1, 74613, 1}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{1, 38532, 1}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{1, 25353, 1}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{41779, 690108, 31039}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{1, 44776, 1}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{1, 89798, 1}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{1, 110123, 1}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{25061, 168733, 18765}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{18733, 137795, 18761}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{1, 67353, 1}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{131042, 1, 46030}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{1, 48081, 1}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{1.2*^7, 2.54*^7, 9695418}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{88056, 115719, 1}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{1, 42640, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{43072, 69939, 23642}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{336144, 411976, 280226}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{335598, 353769, 296748}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{49050, 42436, 1}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{129866, 157254, 82780}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{794598, 1332398, 873749}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{46998, 61911, 26312}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{714792, 923354, 865305}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{518169, 628023, 484201}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{141899, 108136, 144009}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{19765, 144503, 1}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{72972, 74566, 51105}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{139145, 1140493, 147726}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{18978, 163854, 1}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{1, 123299, 1}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{118216, 1, 44525}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{118600, 243683, 102714}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{1, 97382, 1}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{232979, 478089, 206471}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{93555, 69031, 73143}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{52689, 93492, 44357}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{2967535, 4121326, 2436889}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{667947, 1119751, 447656}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{1, 38367, 1}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{15949, 208989, 1}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{39938, 237431, 35181}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{1, 94185, 15404}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{78913, 408546, 70372}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{1, 125010, 1}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{1, 49228, 1}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{162435, 271452, 1}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{1, 93706, 1}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{1, 98108, 1}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{35539, 118638, 23656}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{84153, 153344, 66101}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{37613, 183957, 30141}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{1, 18679, 1}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-2\
4-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid ID=, KEGG \
ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> {{1, 24826, 34211}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{150328, 182478, 131504}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{445491, 898293, 333957}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{1, 62704, 1}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{607433, 877065, 525562}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{1, 209485, 1}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{1, 331037, 130172}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{1, 94277, 1}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{36140, 48021, 33433}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{1, 49281, 1}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{100961, 219894, 92171}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{1, 46448, 1}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{1, 227121, 1}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{1, 23822, 1}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{1, 56016, 1}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{1, 80348, 8512}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{425388, 2202871, 343800}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{1, 35729, 1}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{377745, 370950, 325909}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{17631, 77940, 16216}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{1, 59071, 1}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{35024, 51005, 28691}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{1, 68540, 1}, {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", 
      ""}}, {364.3347, 14.869875, "Meta"} -> {{1, 200892, 1}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{1, 81309, 1}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{26678, 282031, 29678}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{2279203, 886480, 1602362}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{1, 182791, 1}, {"5,9,19-hexacosatrienoic \
acid [ C26 H46 O2, db=93.07, overall=94.01, mfg=94.96, Lipid ID=, KEGG ID= ]"\
, ""}}, {506.4338, 14.890211, "Meta"} -> {{184719, 265327, 158599}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{1, 279819, 1}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{627850, 2963829, 530314}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{1, 41543, 1}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{1, 56032, 1}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{68907, 43894, 43401}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{161893, 266940, 151410}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{1, 234971, 1}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2054488, 2508271, 1774011}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{39699, 62830, 39122}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{1, 89635, 1}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{1, 22956, 1}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, db=87.49, \
overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{150848, 50452, 121629}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{1, 70187, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{1, 68432, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{1, 109462, 1}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{12465, 229752, 1}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{82912, 1161407, 74188}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{45933, 22861, 33875}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{1, 25173, 1}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{1, 84197, 1}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{168802, 1089643, 145750}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{14883, 218175, 12488}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{43411, 129099, 41721}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{127055, 158944, 87616}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{1, 30453, 1}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{1, 67338, 1}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{1, 72630, 68973}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{1, 70814, 1}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1, 372020, 1}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{1, 29899, 1}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{116224, 164682, 99005}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{16546, 24950, 1}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{1, 72120, 1}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{508685, 1379741, 466012}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{162272, 24134, 1}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{4721326, 1183605, 3424451}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{437977, 57007, 419206}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{1, 55379, 1}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{32148, 220684, 29337}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{53251, 78139, 48570}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{1, 310312, 320628}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{1, 33555, 1}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{33169, 262858, 28806}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{1, 1, 75355}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1, 176136, 221065}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{1, 85174, 1}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{1, 1690937, 627650}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{1, 39343, 1}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{15083, 87406, 1}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{17042, 316797, 26447}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{1, 121913, 1}, {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", 
      ""}}, {366.3506, 15.024555, "Meta"} -> {{59332, 781139, 50738}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{1, 42748, 1}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{1064023, 4807362, 970790}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{48999, 168529, 35154}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{1, 95213, 1}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{1, 45273, 32739}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{1, 59313, 1}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{70682, 508692, 54813}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{1, 162140, 1}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{28964, 254611, 1}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{21013, 44022, 18814}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{1, 57749, 1}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{1603148, 4462462, 1087961}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{21381, 64392, 25545}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 68712, 38209}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{1, 83829, 1}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{21065, 69775, 16317}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", 
      ""}}, {608.4326, 15.080034, "Meta"} -> {{1, 58572, 46516}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{1, 69548, 1}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{141627, 78794, 79557}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{219303, 736831, 183835}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{1, 46547, 1}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{1, 32761, 1}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{1, 75052, 1}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{86528, 164585, 60628}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{1, 102856, 1}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{1, 44225, 1}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{96326, 36318, 104229}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{29671, 160613, 21929}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{16342, 38431, 1}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{1, 254612, 1}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{419846, 1748347, 368511}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{1, 447876, 1}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{59513, 72588, 41272}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{20310, 46678, 19772}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{242046, 2658269, 1042625}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{1, 57304, 1}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{52543, 4147052, 39882}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{486860, 2488670, 453769}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{1, 468534, 1}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{1, 73354, 1}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{43926, 33361, 1}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{47744, 233073, 1}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{126291, 1.27*^7, 109463}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{1, 92511, 1}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{1, 168715, 1}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{1, 37286, 1}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{1, 225015, 1}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{82738, 47995, 88443}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{1, 123308, 1}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{1, 82241, 1}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{1, 484439, 1}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{73435, 53912, 33750}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{32264, 60259, 26353}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{1, 44875, 1}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{1, 291996, 1}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{1, 131551, 1}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{28463, 45861, 17206}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{1, 76094, 1}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{53492, 240211, 49382}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{1, 76816, 1}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{151619, 1.06*^7, 102990}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{14882, 281702, 12807}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{75799, 5846152, 64494}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, \
db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{1, 48667, 1}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{1, 354480, 1}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{1, 33856, 1}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{1, 98403, 1}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{40545, 26351, 25511}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{1, 29716, 1}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{1, 88767, 1}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{285463, 2358543, 267271}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{98168, 3049260, 92851}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{1, 42832, 1}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{1, 288025, 1}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{1, 71891, 20616}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1, 1220568, 1}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{42007, 41547, 38642}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{256933, 8748743, 200833}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{191770, 803890, 212865}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{1, 116981, 1}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{1, 110462, 1}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{96678, 296699, 105017}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{1, 28149, 1}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{59316, 33241, 67817}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{1, 44055, 1}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{32236, 262897, 28042}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{1, 31932, 19059}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{87187, 49574, 47010}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{346685, 549914, 394958}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{1, 43361, 1}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1006683, 1328509, 964115}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{404970, 4991434, 252509}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{37923, 59719, 32663}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{60886, 621983, 49605}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{22905, 91731, 25097}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{76353, 894328, 59021}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{50756, 198744, 50730}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{1827348, 2649131, 2093269}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{1, 31353, 1}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{448568, 6040065, 357319}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1, 1385934, 95676}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{22068, 203131, 17688}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{20058, 279389, 16623}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{83612, 56516, 161633}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{32936, 115743, 27069}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{1, 22532, 1}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{59851, 878763, 42745}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1, 646197, 1}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{1, 32209, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{1, 108686, 1}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{271311, 368000, 260754}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{136113, 2055957, 113019}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{1, 84790, 1}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{84837, 1231465, 72780}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{29467, 44304, 35912}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{748263, 970570, 759401}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{1, 209453, 1}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{150361, 194168, 123445}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{110017, 1, 77817}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{1, 27169, 1}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{15985, 295630, 1}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{80693, 97920, 66374}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{1, 39009, 1}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{63805, 84976, 53136}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{1, 187591, 1}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{116708, 2440395, 90138}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{1, 76217, 1}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1392439, 1881778, 1371474}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{1, 159447, 1}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{357824, 6023669, 317834}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{1, 24088, 1}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{1, 49380, 1}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{94324, 153039, 106080}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{70447, 1093145, 58868}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{1, 108463, 12205}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{1, 47118, 1}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{86252, 1306091, 78539}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{621757, 974284, 538005}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{1, 19292, 1}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{17176, 212335, 11503}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{1, 76305, 1}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{1423230, 2491059, 1427313}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{1, 230473, 17664}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{1, 58233, 1}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{1, 86288, 1}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{1, 183981, 1}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{323078, 592061, 299498}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{222317, 147512, 149279}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1, 411798, 24179}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{1, 255620, 1}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{68924, 161695, 75980}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{1, 110045, 34800}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{1, 201693, 1}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{1, 128269, 1}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{1, 258840, 54445}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{1, 99023, 1}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{316680, 1003393, 325985}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{86537, 203082, 70869}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{1, 126454, 17347}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{1, 74937, 48068}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{90988, 34489, 102823}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{1, 134425, 10575}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{1, 74987, 32137}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{1, 70133, 1}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{26353, 608331, 22311}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{1, 48139, 1}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{115917, 326553, 101750}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{105143, 166419, 76594}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{1, 24749, 1}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{1, 100995, 1}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{149214, 499647, 157020}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{1, 47423, 1}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{44291, 973390, 36897}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{1, 301266, 20586}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{1, 17997, 1}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{1, 78219, 1}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{1, 71885, 1}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1, 519047, 42691}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{1, 26276, 1}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{1, 21552, 1}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{1, 1670248, 330996}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{1, 115812, 32661}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{19546, 506907, 14062}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{560552, 2143552, 484979}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{51982, 198635, 1}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{1, 48963, 1}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{1, 124430, 1}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{1, 235760, 47926}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{14719, 484602, 17846}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{1, 41245, 1}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{1, 317662, 1}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{1, 626701, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{1, 227132, 1}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{109902, 1, 136993}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{47467, 357845, 76556}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{1, 272208, 38554}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{32081, 242194, 1}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{1, 29523, 16636}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{69165, 993594, 68939}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{1, 72494, 1}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{1, 61257, 18316}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{1, 211448, 1}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{1, 119269, 1}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{1, 139589, 1}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{1, 127775, 1}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{29827, 440503, 34394}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{1, 385836, 1}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{1, 94462, 1}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{1, 57052, 1}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{13170, 418837, 1}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{1, 23988, 1}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1, 1, 86815}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{1, 372313, 1}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{1, 50906, 1}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{1, 66225, 1}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{37638, 454570, 80759}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{1, 112018, 1}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{1, 75315, 11861}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{1, 418460, 1}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{1, 128084, 1}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{1, 35592, 1}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{1, 648789, 1}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{27793, 29128, 25669}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{29015, 27987, 24760}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{22149, 15876, 18596}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{21476, 21485, 18807}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{22675, 1, 17584}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{1, 17067, 13808}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{1, 17935, 23009}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{13593, 1, 14231}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{197536, 186261, 187069}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{231590, 209166, 217549}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{168354, 178195, 180468}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{456072, 386835, 341860}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{40687, 1, 1}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{294163, 365299, 285373}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{98203, 85935, 1}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{142931, 87607, 108208}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{90102, 135243, 18220}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{58679, 1, 37665}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{115120, 107172, 65746}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{165281, 136631, 126497}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{5680415, 4875731, 4190944}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{211669, 228149, 163891}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{70502, 70311, 98700}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{91463, 77832, 64438}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{208537, 176131, 146402}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{122622, 104147, 76441}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{26208, 21378, 1}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{51571, 76088, 57936}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{52138, 52503, 33093}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{27311, 22898, 1}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{32700, 25468, 1}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{35041, 35636, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{97312, 93391, 57811}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{1, 233504, 228773}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{42466, 43574, 38532}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{76456, 58224, 40894}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{27456, 23642, 15767}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{20824, 19470, 14085}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{16401, 16866, 1}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{36134, 31589, 24647}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{17099, 13212, 11240}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{20299, 20808, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{27976, 25097, 1}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{43553, 41880, 41380}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 22620, 30815}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{1, 24708, 67248}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{29274, 20780, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{1, 63988, 1}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{41812, 46165, 24856}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{57604, 1, 178323}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{1, 41322, 42041}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{1, 96658, 72646}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{1, 75457, 18118}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{33736, 31780, 28913}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{157769, 283564, 105405}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{1, 89832, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{52869, 24450, 37954}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{26409, 32882, 39335}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{44670, 32179, 36940}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{138023, 75177, 111895}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{54035, 41174, 45506}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{80550, 1, 63508}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{24493, 48627, 1}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{16017, 20615, 15861}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{40745, 28610, 27996}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{163529, 14264, 1}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{120931, 56394, 92622}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{17470, 19750, 11671}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{85265, 1, 73277}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{858764, 1117945, 545107}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{57166, 1, 37266}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{19771, 20382, 21561}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{1, 20705, 13600}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{1, 112166, 1}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{1, 130656, 66072}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{1, 1, 102501}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{92953, 135152, 74763}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{134348, 1, 109207}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1064945, 1, 762517}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{55745, 125418, 62994}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{90235, 1, 88463}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{41672, 88355, 44796}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{63502, 101067, 53703}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{34167, 28690, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{20327, 33168, 24765}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{25067, 780805, 19517}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 46963, 89380}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{169921, 129875, 141021}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{102221, 94673, 96553}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{131966, 10837, 49613}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{243221, 286887, 199648}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{1, 48199, 1}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{168565, 166684, 156376}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{580752, 465623, 1}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{58960, 1, 51234}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{107372, 1, 85429}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{231247, 181354, 202245}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{433903, 328997, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{114269, 1, 69452}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{100941, 1, 57036}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{71069, 69879, 49341}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{43129, 1, 41187}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{34466, 28476, 23373}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{124952, 112343, 88877}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{202544, 96381, 101795}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{35710, 41387, 23934}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{55663, 1, 50047}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{390638, 1, 308315}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{45046, 1, 51998}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{45849, 16346, 55043}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{34121, 36391, 37653}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{26590, 89054, 68990}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{78757, 1, 32249}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{58756, 69723, 132951}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{96103, 259862, 69457}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{117539, 1, 84336}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{509599, 1, 413358}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{63541, 32561, 56349}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 22205, 28379}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{1, 22337, 20464}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{1, 24481, 70180}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 115528, 130042}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "9" -> <|{457.0024, 0.34764, "Meta"} -> {{21844, 16009, 12437}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{26812, 20872, 19450}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{15844, 14015, 11891}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{15096, 1, 10885}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{23019, 19337, 16407}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{72184, 56775, 56794}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{43586, 33894, 35008}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{1, 31276, 1}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{14676, 12375, 13268}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{15210, 13245, 12229}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{28601, 25113, 24298}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{17372, 16803, 12590}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{25554, 22377, 21451}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{25368, 28522, 23944}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{13491, 12450, 10054}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{20744, 21153, 19116}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{39869, 1, 34118}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{58455, 54204, 54362}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{26588, 24270, 22780}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{77546, 73829, 76643}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{71445, 67168, 64964}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{62124, 52646, 54802}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{82570, 80888, 80112}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{48415, 48016, 44510}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{504234, 665045, 596922}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{27040, 23969, 21340}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{114936, 107401, 107555}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{58795, 53023, 55334}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{160197, 148565, 149724}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{81223, 79887, 81985}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{1, 19465, 17748}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{317755, 296662, 293464}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{26999, 1, 20921}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{214721, 202575, 202580}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{48618, 44105, 42910}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{405304, 383070, 1}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{39828, 41407, 38528}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{837101, 786482, 784783}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{515570, 490585, 478900}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{941383, 864695, 878744}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{27243, 27197, 25937}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1451317, 1383001, 1368936}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1678276, 1611501, 1618223}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1174896, 1109021, 1117100}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1359345, 1286017, 1242676}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{24037, 20321, 21393}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{733198, 690378, 674389}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{68110, 62356, 62989}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3362701, 3288624, 3316205}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{48288, 46323, 49238}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{77144, 70180, 74520}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{55957, 53467, 58364}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{21326, 18419, 20772}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{76408, 71316, 73949}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{38244, 34655, 38331}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{76236, 73309, 76981}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{53136, 55745, 58077}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{13514, 15832, 1}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{17599, 13858, 18884}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{18099, 1, 12429}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{14099, 13703, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{206132, 191688, 1}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{651770, 632053, 612809}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{159314, 144233, 136733}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{141484, 128793, 113892}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{123996, 89541, 88508}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{33489, 1, 26514}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{57718, 51815, 1}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{92737, 83200, 1}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{329084, 278499, 297718}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{95123, 87847, 78141}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{333804, 1, 301560}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{120704, 1, 94651}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{112094, 78485, 1}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{189572, 179362, 161888}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{1, 27895, 1}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{23563, 1, 22138}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{97675, 93066, 88335}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{77893, 77315, 72965}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{146391, 144709, 142230}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{103809, 100699, 94536}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1650627, 1587367, 1539192}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{174535, 162320, 156829}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{51553, 60008, 54694}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{151382, 159437, 145622}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{1.17*^7, 1.16*^7, 1.11*^7}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{126474, 117932, 126888}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{169847, 127484, 145596}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{33170, 1, 39357}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{82246, 67519, 81785}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{26783, 191301, 142645}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{94484, 214406, 216930}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{1, 232251, 244346}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{212466, 578496, 575496}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{50542, 50832, 66481}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{123412, 180336, 340323}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{82448, 81891, 87003}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{598431, 706553, 703932}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{316455, 412431, 605900}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2277648, 1769918, 1626980}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{19300, 55565, 48303}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{240585, 204443, 186973}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{166965, 1, 138246}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{623869, 606239, 523294}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{170314, 128941, 105643}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{1, 48466, 36154}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{111444, 73205, 63755}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{141695, 113726, 97412}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{36139, 23231, 18627}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{492406, 367399, 318767}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{31948, 22565, 15196}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{236400, 1, 288187}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{17896, 53299, 40127}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{9006569, 7962292, 7195280}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{73752, 67654, 1}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{128146, 129287, 110282}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{410345, 476274, 412805}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{1, 118102, 110766}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{106079, 39194, 73419}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{381223, 336369, 278604}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{90298, 116960, 128385}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{40293, 22665, 1}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2372925, 2075223, 1815570}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{73672, 68582, 62925}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{116627, 122810, 98182}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{555462, 496760, 444597}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{24271, 31825, 37801}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{84080, 1, 1}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{1, 99100, 81240}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{104474, 124028, 112019}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{37881, 37978, 39453}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{18948, 18229, 18431}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{94086, 107275, 1}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.33*^7, 1.31*^7, 1.08*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{21636, 1, 29150}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{440910, 488711, 560688}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{729612, 795251, 568140}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{55746, 46011, 33002}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{112917, 87887, 69333}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{24173, 27016, 28882}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{791603, 734056, 612037}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{108570, 131107, 292784}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{24295, 25717, 21480}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{22928, 23116, 17457}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{30000, 27588, 21875}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{24548, 28716, 24009}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{20152, 18536, 11223}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{103814, 88070, 61942}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{31057, 31519, 28043}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{47346, 43595, 32889}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{1, 1, 1}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{139198, 88159, 109727}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{22563, 26132, 16973}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{112498, 147713, 110099}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{1, 1, 1}, {"Adipic acid [ C6 H10 O4, \
db=45.74, overall=46.59, mfg=47.44, KEGG ID=, CAS ID=124-04-9 ]", 
      "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{323357, 335410, 338030}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{251430, 256430, 290143}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{261883, 296535, 267995}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{1, 108202, 108280}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{237552, 250829, 214142}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{132303, 1, 114709}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{194293, 189874, 162405}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{50372, 64245, 58942}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{251373, 240838, 142779}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{1, 73284, 64409}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{347889, 351400, 318518}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{340716, 320499, 286660}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5172791, 5036588, 4404915}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{1, 1, 89667}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{83924, 72349, 74727}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{47481, 45524, 35125}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1, 2330970, 1952735}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{1, 86167, 116906}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{44959, 45900, 37546}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{43444, 72805, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.1*^7, 1.07*^7, 6037942}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{152200, 130417, 183341}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1, 795373, 712988}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{1464009, 1433327, 1212526}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{79540, 1, 61683}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{162681, 147423, 117497}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{208415, 195777, 170174}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{3985500, 3842544, 3389814}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{284711, 338738, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{146699, 141172, 95243}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{83209, 76211, 48584}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{5929255, 5451222, 3999329}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{353714, 348880, 270232}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{133676, 205068, 155497}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{164354, 140867, 115210}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{92558, 93897, 76565}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{300530, 274511, 200977}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{1, 42933, 38508}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{4.41*^7, 4.21*^7, 3.72*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1036455, 1110054, 883185}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1298709, 1451544, 1}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{176511, 190468, 157807}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{107140, 108258, 99939}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{76198, 72315, 1}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{120426, 111412, 107303}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{79993, 81238, 63788}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1389961, 1377311, 1208995}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{601067, 458580, 228961}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{417398, 400439, 366861}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{62823, 1, 57789}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{45986, 48451, 1}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{1, 1, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{54998, 51736, 49038}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{16980, 13915, 13401}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{156793, 150555, 129683}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 45228, 88057}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{721937, 623591, 428981}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{159742, 124599, 82748}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{105741, 89987, 63678}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{99516, 100802, 83562}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{80414, 77927, 71231}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{17043, 1, 16159}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1007578, 999254, 867240}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{11368, 1, 1}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{109879, 108136, 101036}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{29222, 27241, 27339}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{15201, 19474, 1}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{1, 34389, 37770}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{157181, 105337, 88245}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{17126, 17481, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{29429, 33248, 26039}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{109919, 117403, 97333}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{63347, 70110, 55744}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{41026, 40177, 29433}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{270625, 233299, 187576}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{315439, 318149, 266542}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{57890, 56015, 51050}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{139915, 142451, 124098}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{36544, 36804, 28847}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{55027, 57410, 55090}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{304451, 303796, 234450}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{135188, 138619, 110734}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{30220, 1, 23215}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{26949, 23856, 1}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{427007, 411356, 337659}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{34831, 32407, 28832}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{2339167, 2268953, 1926937}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{71948, 69493, 57154}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{353496, 319754, 296891}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{36402, 46496, 31000}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{326914, 424550, 189847}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{33485, 34762, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{247274, 252511, 80689}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{251017, 63771, 24729}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{96544, 106179, 83577}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{70363, 102559, 56482}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.41*^7, 1.81*^7, 9562662}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{44001, 40458, 31631}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{87297, 1, 1}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{38927, 46139, 25260}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{795959, 777686, 684716}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{27720, 27623, 23907}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{18995, 17163, 17347}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{30045, 25651, 31870}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{27151, 26185, 22379}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{75192, 74445, 62174}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{81830, 81558, 71098}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{36413, 37651, 28766}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{33100, 31612, 28362}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{434328, 459728, 394195}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{32686, 36109, 29880}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{159599, 158516, 137636}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{396393, 425056, 355250}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{146798, 179783, 144610}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{60168, 84134, 34498}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{15225, 24446, 1}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{60585, 49049, 44480}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{648127, 616594, 548915}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{28884, 29368, 25417}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{11658, 22562, 21878}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{64539, 74326, 65006}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{327941, 382412, 336993}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{133370, 128271, 105215}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{23055, 26457, 19294}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{1, 20446, 1}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{65752, 67226, 63251}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{12841, 32442, 1}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{1045416, 992376, 725840}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{46816, 52005, 44594}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{65390, 61275, 62475}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{273372, 279253, 246579}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{126367, 132742, 109813}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{35044, 34593, 27454}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{101998, 87577, 78941}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{45729, 398444, 243813}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{138646, 92261, 66348}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{85166, 79194, 65610}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{60495, 70503, 49591}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{3150203, 2697891, 2093948}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{35003, 24900, 21983}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{133429, 107559, 74281}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{942788, 768140, 608506}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{438208, 414600, 302154}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{124594, 118578, 85126}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{26102, 33616, 24756}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{99731, 92804, 81845}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{268182, 244453, 222239}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{33291, 28921, 24332}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{1, 55376, 44021}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{74668, 704333, 516631}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{18678, 105647, 80445}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{119443, 825320, 550813}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{1, 62310, 50552}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{41026, 44658, 39075}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{135100, 146168, 152758}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{120514, 118707, 107734}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{391701, 315805, 199382}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{95555, 91052, 85103}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{168822, 151876, 129170}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{50969, 51927, 33462}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{39465, 42067, 34423}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{148355, 158120, 130957}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{34530, 33784, 31989}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{74879, 75573, 78586}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{26827, 12850, 21845}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{179297, 194079, 177949}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{118852, 80025, 84247}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{32292, 29377, 28244}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{1, 26138, 1}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{1, 49800, 45734}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{30565, 27325, 23232}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{40968, 1, 36148}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{43282, 29004, 27140}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{194901, 190274, 1}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{40114, 53535, 43255}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{29734, 30889, 24801}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{415810, 413865, 344500}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{90141, 89761, 69412}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{228744, 223319, 193357}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{76224, 91260, 73584}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{28473, 29191, 26683}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{41964, 44967, 23385}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{27733, 27877, 23688}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{155251, 149269, 134128}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{1, 45267, 92462}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1758527, 1740700, 1477016}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{55828, 51475, 41931}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{59903, 78026, 64364}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{12649, 1, 14570}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{375352, 365246, 303539}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{26412, 18630, 13764}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{20646, 29577, 26426}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{385413, 394957, 331949}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{67239, 76704, 60280}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{361388, 424623, 287330}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{28277, 33533, 23253}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{16044, 46323, 50769}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{96758, 99455, 78299}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{152815, 146236, 125300}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{53721, 48428, 53140}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{184785, 173204, 144022}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{82969, 77182, 68305}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{1, 34889, 34757}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{37990, 37514, 30853}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{502478, 514356, 438348}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{19182, 16929, 17851}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", 
      ""}}, {540.2569, 9.977922, "Meta"} -> {{15976, 15661, 13345}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{752104, 692231, 596231}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{93512, 101588, 93479}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= \
]", ""}}, {216.1362, 9.984428, "Meta"} -> {{58139, 59243, 54417}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{1, 1, 93971}, {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", 
      ""}}, {228.136, 10.039296, "Meta"} -> {{1, 31646, 30846}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{42785, 37262, 32066}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{4519092, 4552205, 3870528}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{11579, 14358, 11900}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{177172, 179770, 155689}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{31102, 35408, 32191}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{75440, 75365, 76340}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{167934, 182942, 168531}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{17099, 20890, 1}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{16639, 18607, 15735}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{18261, 14289, 10112}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{12301, 12284, 11058}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{57862, 52189, 54092}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{36294, 33509, 35747}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{76128, 59626, 57214}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{72442, 69018, 66684}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{1261394, 1305516, 1125445}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{23535, 23240, 22610}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{113474, 137097, 119378}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{49561, 46205, 37276}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{36901, 1, 27261}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{74174, 81726, 83780}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{544123, 557786, 495422}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{69678, 63025, 53417}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{112339, 104717, 92522}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{70440, 73192, 65807}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{511527, 518170, 435086}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{23701, 1, 1}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{129796, 131857, 121349}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{1, 24663, 99641}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{659135, 307851, 703617}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{124743, 62100, 146694}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{514344, 530204, 484389}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{48360, 44764, 40100}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{1, 70320, 55111}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{1, 37510, 28745}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{38140, 38320, 28828}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{23453, 19768, 16500}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{134914, 168952, 151543}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{40422, 35282, 26776}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{1, 22001, 19660}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{138747, 134587, 116032}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{28237, 29584, 24739}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{39525, 36742, 34257}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{538090, 551292, 451428}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{27953, 1, 16976}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{26484, 25152, 22737}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{346153, 344649, 305612}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{43812, 33017, 35834}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{49528, 52346, 48341}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{21830, 20398, 17903}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{107670, 112465, 93268}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{40313, 29739, 30482}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{50575, 87995, 66782}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{123861, 120148, 103914}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{38576, 47549, 37184}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{32474, 31313, 24589}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1000861, 939299, 811421}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{51883, 54069, 42002}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{121049, 129477, 112579}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{180995, 143193, 159623}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{32380, 52372, 25079}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{35596, 41327, 33233}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{1082894, 1148942, 1016717}, {"3-Hydroxycapric acid [ C10 H20 O3, \
db=99.89, overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", 
      ""}}, {253.0808, 10.697361, "Meta"} -> {{625649, 111624, 179842}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{46147, 46341, 34264}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{373946, 392197, 330294}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{23562, 25305, 18823}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{1, 121870, 98581}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{122698, 135379, 113922}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{1, 23857, 19306}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{146049, 149015, 134590}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{71320, 78487, 58252}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{240865, 490278, 355167}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{1, 21416, 16397}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{1, 20903, 15188}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{28037, 34092, 31027}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{184398, 190390, 116808}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{139431, 140804, 121926}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{621906, 620499, 530841}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{459905, 437750, 359465}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{14923, 20865, 12399}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{173378, 172420, 137044}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{98213, 101497, 71869}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{27217, 26169, 26107}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{150013, 151325, 122032}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{33993, 34518, 30117}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{72259, 58163, 54402}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{90545, 81997, 71578}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{24324, 24573, 24534}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{44375, 45289, 41417}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{40977, 38226, 39669}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{27872, 24880, 21818}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{48308, 46456, 46216}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{9157, 460366, 382638}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{24724, 25696, 23282}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{300275, 310506, 255601}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{579615, 553469, 499095}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{30247, 26634, 22404}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{25453, 33574, 20277}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{231632, 235729, 225886}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{28807, 25593, 20435}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{1, 15426, 1}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{113045, 112832, 71497}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethy\
l-Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{64777, 62291, 49741}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{439552, 176240, 166393}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{37181, 28903, 27836}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{38260, 36521, 33382}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{1, 10911, 1}, {"16a-Hydroxydydrogesteron\
e glucoronide [ C27 H36 O9, db=68.68, overall=69.46, mfg=70.25, KEGG ID=, CAS \
ID= ]", ""}}, {450.181, 11.291778, "Meta"} -> {{28135, 26564, 22477}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1406596, 1551778, 1220662}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{11443, 18620, 1}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{105961, 119477, 99394}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{23910, 19009, 1}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{537868, 519144, 449298}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{58487, 54100, 45614}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{62384, 56801, 53076}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{1, 52902, 36118}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{55993, 47464, 50711}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{244936, 282780, 235825}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{37138, 42844, 37003}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{54782, 54561, 43914}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{39759, 40251, 41004}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{32145, 26589, 21743}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{138594, 124565, 124168}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{133371, 139280, 126234}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{5194105, 5065833, 4393144}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{79528, 75436, 65998}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{33375, 33906, 31824}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{12768, 14981, 12071}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{41653, 41903, 37681}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{92291, 94725, 85376}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{445719, 450172, 391702}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{46829, 48727, 48617}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{50731, 56381, 58850}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{35084, 46136, 28846}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{84963, 89129, 84848}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{202511, 203510, 170736}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{29833, 29324, 24339}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{87789, 89841, 71433}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{230961, 222721, 192391}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{165030, 147879, 125325}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{57844, 62841, 50323}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{80834, 68037, 78017}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{10407, 9566, 1}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{213550, 212495, 174265}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{35113, 27531, 24665}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{38397, 34029, 27558}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{28955, 24269, 26166}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{21046, 104992, 115487}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{177689, 949879, 761849}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{39970, 47584, 43566}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{150810, 154329, 134035}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{152355, 149097, 130729}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{44542, 52135, 48811}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{18240, 18277, 15564}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{248643, 221090, 198344}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{24473, 17125, 18777}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{93354, 80063, 73731}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{17415, 19902, 18082}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{324662, 339499, 278453}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{81596, 84950, 78823}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{37963, 62037, 25244}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{113378, 104194, 89370}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{61686, 68723, 56303}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1677852, 1651029, 1395109}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{27313, 26780, 22513}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{17230, 19921, 1}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{118717, 110552, 93457}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{127866, 127309, 110016}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{1, 1, 39351}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{1, 145895, 122435}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{244507, 230065, 192116}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{70450, 67325, 46916}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{84361, 85478, 73775}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{2015276, 1975474, 1675637}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{126267, 125546, 107769}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{41564, 43173, 37272}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{612614, 573826, 513363}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{98722, 102756, 88409}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{1, 14902, 1}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{282150, 277858, 240312}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{39677, 46325, 20006}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{1, 27905, 1}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{75122, 82594, 77768}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{131728, 136959, 116969}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1974369, 2046980, 1689724}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{80677, 83298, 61812}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{39640, 45934, 36522}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{135715, 142374, 53844}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{1, 37924, 32093}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{56589, 53152, 47343}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{1, 174584, 1}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{72189, 64509, 50327}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{18669, 18345, 14089}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{18276, 15366, 1}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{256792, 252469, 210405}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 13416, 74731}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{31692, 32142, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{198691, 166447, 158670}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{25056, 23922, 21095}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{103031, 100976, 87730}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{26859, 22516, 17854}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{43899, 153978, 170574}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{34270, 40199, 26579}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{346004, 319320, 278821}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{24359, 20218, 21462}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{55250, 52566, 48746}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{365607, 363290, 347007}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{56821, 58075, 41448}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{20955, 22460, 19862}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{85136, 88822, 68174}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{295566, 284605, 212171}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{32907, 1, 37590}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{158979, 166292, 128068}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{16765, 21195, 18034}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{64294, 25328, 63290}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{117888, 108013, 90590}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{1, 17350, 1}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{316503, 300989, 257691}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.67*^7, 2.54*^7, 2.16*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{309390, 314358, 283731}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{670606, 681289, 608946}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{57369, 65608, 62498}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{133642, 123402, 103217}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{33159, 28842, 27365}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{32921, 35222, 31985}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 17318, 19308}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{16622, 23226, 17585}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{80797, 85679, 70805}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{67093, 57684, 55678}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{34572, 1, 11744}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{1, 30406, 37432}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{66797, 66870, 54377}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{1, 25536, 17715}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{279755, 264490, 240575}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{38425, 43101, 36279}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{42305, 30691, 37419}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{35588, 33089, 27942}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{53772, 55501, 48698}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{82952, 94856, 83215}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{47821, 45401, 39180}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{853785, 784821, 710254}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{31402, 31057, 27946}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{96512, 88104, 81131}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{128316, 58893, 122622}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{254328, 247269, 251823}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{11959, 12328, 1}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{16747, 18303, 14584}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{35847, 32913, 31600}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{15021, 1, 1}, {"Cholic acid glucuronide [ \
C30 H48 O11, db=80.82, overall=82.02, mfg=83.21, HMP ID=HMDB02577, KEGG ID= \
]", ""}}, {434.2883, 12.167889, "Meta"} -> {{56628, 50601, 44634}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{15133, 80041, 70657}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{2901218, 2679832, 2278225}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{325461, 310740, 273283}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{49827, 49130, 46144}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{133948, 90188, 88902}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{150667, 146481, 109014}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{72978, 80500, 71177}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{48915, 48576, 40415}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{36744, 34641, 28081}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{133311, 125653, 116023}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{29802, 26278, 26324}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2850245, 2709055, 2316657}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{27893, 28688, 24498}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{20357, 28221, 21748}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{22379, 24032, 18640}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{195972, 199645, 167287}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{231911, 235972, 207785}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{252036, 258396, 224079}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{1, 1, 1}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=73.27, \
overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {324.211, 12.24494, "Meta"} -> {{22194, 26388, 19930}, 
     {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, db=62.97, overall=63.62, \
mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, {314.2459, 12.245145, "Meta"} -> 
    {{96778, 66581, 73535}, {"Octadecanedioic acid [ C18 H34 O4, db=89.21, \
overall=89.84, mfg=90.47, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {308.1627, 12.250629, "Meta"} -> {{66375, 60965, 58464}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{152209, 145372, 114872}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{293043, 298235, 252462}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{1, 1, 25694}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{126307, 82407, 63918}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{34928, 34499, 23433}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{19493, 1, 1}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{482269, 493730, 408140}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{88275, 90203, 75798}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{67592, 55694, 53644}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{1, 30875, 22919}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{56698, 53184, 1}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{74492, 40325, 27306}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{19748, 14216, 13368}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{86652, 95551, 82677}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{80637, 74295, 1}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{1, 1, 1}, {"(5b,7b,12a)-7,12-dihydroxy-\
Cholan-24-oic acid [ C24 H40 O4, db=92.60, overall=92.82, mfg=93.04, HMP \
ID=HMDB02451, KEGG ID= ]", ""}}, {314.1871, 12.305643, "Meta"} -> 
    {{1, 16030, 13813}, {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, \
overall=51.33, mfg=56.24, KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{52718, 44993, 39870}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{63874, 61719, 55432}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{1, 403864, 323800}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{549019, 509036, 457293}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{117605, 111872, 115476}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{1, 1, 40484}, {"9,12,13-trihydroxy-10,15-\
octadecadienoic acid [ C18 H32 O5, db=61.93, overall=62.11, mfg=62.29, Lipid \
ID=, KEGG ID= ]", ""}}, {272.199, 12.347274, "Meta"} -> 
    {{44613, 46518, 15833}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, \
db=83.30, overall=83.33, mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.162, 12.35339, "Meta"} -> {{107408, 97619, 83180}, 
     {"Undecylic acid [ C11 H22 O2, db=85.09, overall=85.12, mfg=85.15, KEGG \
ID=, CAS ID= ]", ""}}, {527.2561, 12.364172, "Meta"} -> 
    {{374003, 366785, 308160}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{22017, 20406, 15194}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{1, 38338, 31587}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{412820, 408866, 336076}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{29349, 32419, 26471}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{165635, 138140, 126549}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{91360, 92653, 81637}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{107507, 100088, 90274}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{70594, 71700, 57655}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{7908864, 7665331, 6351187}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{252726, 244183, 219524}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{28393, 26787, 23780}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{105618, 105030, 82838}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{27806, 26853, 21542}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{59155, 53880, 34199}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{45970, 47907, 38192}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{3652152, 3477608, 2893380}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{30495, 26262, 25866}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{56316, 51902, 38308}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{1, 43454, 41521}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{52839, 53622, 44798}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{27304, 30199, 24296}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{27102, 33341, 30333}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{161810, 161317, 149096}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{27832, 26893, 27321}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{118908, 1, 1}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{112371, 103405, 69767}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{92809, 97096, 90856}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{17283, 17304, 12831}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{59466, 61492, 52956}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{1, 140552, 127049}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{691717, 687121, 560500}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{54980, 63242, 58716}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{23553, 26679, 19813}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{193364, 193632, 154144}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{62984, 65294, 52630}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{19670, 38046, 39434}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{22284, 1, 18688}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{164072, 150956, 183837}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{1, 23731, 20319}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{72372, 112876, 76024}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{30962, 42982, 29682}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{138708, 157303, 131274}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{33011, 29064, 27088}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{23888, 26668, 21926}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{2979623, 2810738, 2328740}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{23564, 21306, 17425}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{44278, 41111, 33429}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{22295, 22059, 19085}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{137093, 143174, 130788}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{32589, 34250, 34992}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{25390, 26077, 11518}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{1, 45358, 23299}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{24814, 23072, 17463}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{30243, 31248, 30603}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{95553, 95303, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{148025, 142319, 123294}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{165881, 175143, 131535}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{93279, 103334, 77057}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{62857, 51989, 48857}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{545384, 556367, 473877}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{110963, 116958, 95458}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{49808, 56555, 44805}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{167149, 151552, 129442}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{1, 35378, 36570}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{201780, 189037, 149481}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{462959, 525900, 472162}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{94815, 1, 1}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1155523, 15561, 83319}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{216513, 211858, 170574}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{29168, 30672, 25338}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{488208, 1, 1}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{65531, 72018, 64950}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{115638, 1, 1}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{263054, 1, 287308}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{117749, 21679, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{330268, 1, 31871}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{21097, 20758, 18316}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{175091, 241291, 252820}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{227764, 1, 1}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{55547, 60135, 48172}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{134270, 161619, 120906}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{16620, 18873, 17479}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{27077, 1, 1}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{309686, 297543, 241053}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{388028, 240637, 195631}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{477014, 488194, 459667}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{244277, 264866, 221088}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{216087, 236289, 191373}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{123499, 113823, 94043}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{241811, 240977, 214735}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{63688, 62471, 1}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{244222, 1, 51943}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{215766, 1, 187389}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{25282, 1, 20030}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{21401, 27999, 21319}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{19902, 25060, 18242}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{38099, 51197, 41077}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{618314, 595365, 482255}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{19628, 1, 1}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{304817, 292485, 278030}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{30352, 25039, 22992}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{53684, 56402, 41184}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{815234, 20831, 102782}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{119869, 1, 19089}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{69837, 82823, 64071}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{1752278, 42201, 199439}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{466795, 437546, 347583}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{53836, 49236, 40585}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{103782, 1, 1}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{66661, 59414, 45109}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{65205, 70824, 58254}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{289140, 306945, 213849}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{123943, 1, 15062}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{63648, 70267, 55153}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{486824, 562427, 445216}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{78459, 103315, 86053}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{412202, 285356, 217301}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{28881, 24716, 22576}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{4282868, 3815961, 2876524}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{560070, 483973, 378837}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{25262, 28826, 18687}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{35070, 38399, 29901}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{56926, 59749, 45061}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{96055, 1, 1}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{1, 202117, 140767}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{82861, 1, 1}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{74093, 74482, 42018}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{1817522, 34313, 178267}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{79934, 74858, 62321}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{30768, 1, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{248811, 257982, 184658}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{323580, 1, 26239}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{25865, 20677, 16757}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{96796, 1, 1}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{220711, 207112, 143113}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{1.97*^7, 2.07*^7, 1.43*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{175628, 179458, 148388}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{677079, 692331, 505401}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{58807, 88142, 59001}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{151328, 239072, 214591}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{34546, 39596, 35746}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{50118, 46320, 40405}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{20770, 42562, 39999}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{1, 64143, 48709}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{1, 90751, 87970}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{26346, 37505, 1}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{48551, 57914, 37573}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{37527, 1, 1}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{51064, 83080, 49126}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{14334, 14079, 1}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{20203, 31579, 22276}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{1223802, 40813, 98565}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{160465, 192360, 126759}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{44464, 40653, 28086}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{86998, 78519, 50544}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{51080, 1, 1}, {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", 
      ""}}, {889.5133, 12.89332, "Meta"} -> {{166384, 1, 1}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{142384, 1, 1}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{46248, 14858, 13983}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{35346, 39574, 32460}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{685076, 908897, 658768}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{21030, 1, 1}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{138626, 133141, 98306}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{51197, 44141, 30719}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{130471, 18592, 85375}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{493623, 333812, 257029}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{104958, 1, 1}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{271666, 313852, 217090}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{448672, 1, 1}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{350378, 417229, 306369}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{40390, 35391, 21928}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{59466, 38368, 27963}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{3594159, 91753, 156271}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{32177, 1, 74076}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3781808, 202442, 834697}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{32243, 1, 9460}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{83675, 1, 1}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{38879, 42107, 32070}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{36544, 60006, 1}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, db=60.10, \
overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{810295, 924799, 697882}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{248204, 1, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{69971, 72049, 59806}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{44626, 77487, 47190}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{119228, 1, 1}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1298750, 24841, 42384}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{38539, 22923, 19621}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{211515, 219952, 165801}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{346324, 1, 40208}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{82643, 61210, 47930}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{98442, 1, 1}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{62770, 1, 1}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1785798, 84863, 1}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{94229, 147717, 109614}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{47628, 1, 26648}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{98320, 65549, 60646}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{247118, 1, 1}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{35812, 1, 1}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{1, 44331, 29359}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{49590, 1, 1}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{55668, 41311, 30922}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{230850, 449747, 337548}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{268166, 1, 1}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{24048, 43114, 37275}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{29633, 1, 32465}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{113826, 124131, 102430}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{445000, 1, 1}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{168650, 1, 35785}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{61106, 52624, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{85947, 1, 1}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{69627, 1, 12094}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{73852, 110845, 230573}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{16396, 163691, 40500}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{345611, 1, 50232}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{113648, 1, 1}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{458599, 1, 85551}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{3907640, 228153, 583462}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{71007, 47083, 39793}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{88742, 1, 1}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{164945, 1, 1}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{3225043, 221923, 535149}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2498758, 63943, 658123}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{100994, 1, 43668}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{112955, 56956, 132475}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1338161, 34303, 104144}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{1, 49107, 58436}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1.01*^7, 1249788, 4295241}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 1, 44168}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1562052, 3115380, 2793471}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{258786, 431892, 381747}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{58748, 20386, 15237}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{151193, 1, 1}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{457069, 378890, 416294}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{1, 1, 45924}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{160874, 68316, 18934}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{46039, 17358, 42997}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1, 37474, 399533}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{93265, 1, 102488}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{2803709, 407764, 1593880}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{323506, 14378, 26835}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{53864, 54960, 92980}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{21684, 14444, 32293}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{62091, 56360, 46496}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{93862, 1, 1}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1411644, 4404749, 3090210}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{582723, 26997, 87833}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{284515, 1, 306831}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{861124, 1, 1542214}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{310152, 823389, 605948}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{394092, 1, 22099}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{162120, 1, 192063}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{29178, 26708, 14551}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{3122911, 162165, 547941}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{333411, 1, 1}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{427447, 1, 57863}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{70309, 133292, 106928}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{457411, 1, 15625}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{940475, 1, 68917}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{202279, 1, 1}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{96400, 1, 25121}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{240192, 1, 1}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{24629, 24082, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{297255, 279648, 231043}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{339684, 381312, 294503}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 27202, 1}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{70113, 54808, 54510}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{76541, 171845, 134695}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{1, 120831, 70086}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{68958, 163561, 116307}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{77284, 163207, 109192}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{47702, 37272, 50592}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{223794, 227135, 181660}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{32147, 46590, 32350}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{67919, 1, 235951}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{111502, 1, 20464}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{56789, 20256, 43304}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1182883, 1, 49174}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{234507, 1, 1}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{16220, 43339, 29646}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{80635, 1, 1}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{184359, 1, 1}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{39864, 1, 1}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{139335, 1, 1}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{16650, 21083, 15652}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{89313, 171810, 131492}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{63365, 163307, 131036}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{33150, 1, 1}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{121681, 1, 1}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{23839, 1, 16917}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{1, 31659, 1}, {"3-pentadecynoic acid [ \
C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1491.9482, 13.177334, "Meta"} -> {{60322, 1, 1}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{74204, 95727, 1}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{53687, 1, 1}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{76918, 111337, 103489}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{33037, 25292, 25819}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{274875, 1, 1}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{23006, 1, 86308}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{2696864, 108174, 243641}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{80253, 1, 1}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{366685, 21316, 44821}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1601494, 1, 124352}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{833583, 1, 48929}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3762633, 71574, 629648}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{65103, 1, 47360}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.35*^7, 1363001, 4057741}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{454472, 1, 47664}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{14505, 1, 1}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{271514, 375506, 351266}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{1, 347610, 240512}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{27933, 1, 22568}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{162817, 387042, 308734}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{87995, 97257, 80678}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{142447, 36833, 121969}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{53169, 32276, 63224}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{46803, 94903, 84762}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{28427, 89953, 70314}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{172301, 1, 1}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{134726, 134760, 110190}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{26302, 26525, 18004}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{560011, 1954403, 1419234}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{264568, 1, 11806}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{39433, 29232, 23603}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{417924, 1, 25434}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{870215, 1, 138189}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{154107, 1, 1}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{166908, 244767, 204541}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2453996, 223630, 774399}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{259674, 1, 25127}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{89359, 53533, 42182}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{59233, 37767, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{253093, 694026, 456117}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{423772, 267174, 1}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{60516, 1, 41328}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{130157, 156334, 135621}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{30642, 1, 1}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{125885, 144618, 109180}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{866025, 1246435, 1005719}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{106965, 73107, 62331}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{477309, 452845, 361374}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{90890, 124820, 116523}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin \
D3 / (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, \
db=65.44, overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{51983, 135038, 291015}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{75274, 1, 1}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{45036, 92989, 1}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{176083, 1, 23405}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{286655, 1, 39075}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{42505, 1, 45420}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{495453, 1, 107448}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{104496, 1, 1}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{171158, 415945, 320155}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{4510913, 176780, 385809}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{21766, 1, 23123}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{138373, 42610, 16880}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{39273, 33299, 36428}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{212682, 144800, 127958}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{231220, 411007, 324162}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{79042, 79648, 75341}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{29156, 34238, 30616}, 
     {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{148799, 206635, 118300}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{119042, 250252, 201542}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{18169, 17164, 1}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{216147, 1, 1}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{86678, 1, 1}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{452918, 1, 36153}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{467930, 379409, 324912}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{43156, 37796, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{138511, 1, 1}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{198251, 1, 17748}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{209125, 1, 1}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{40964, 40092, 25222}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{1742573, 1, 175263}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.1*^7, 571381, 1988674}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{41457, 1, 21571}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{37117, 54448, 41313}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{64560, 1, 22601}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{104904, 1, 1}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{50612, 1, 50321}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{52700, 47241, 36393}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1495341, 1148458, 1028802}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{80730, 1, 16906}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{193217, 43427, 133978}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{65732, 15382, 15816}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{209278, 485052, 368170}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{125469, 104865, 103316}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{1, 1, 12853}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{152454, 390165, 293163}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{826286, 756687, 696327}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{339676, 1, 11974}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{290868, 1, 1}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{311081, 1, 27513}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{144428, 1, 1}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{131931, 1, 1}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{915277, 85762, 274037}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{56138, 70260, 49395}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{56970, 1, 1}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{119051, 91384, 81900}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{1, 133630, 104505}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.81*^7, 1.61*^7, 1.45*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{90561, 1, 1}, {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", 
      ""}}, {290.2271, 13.45814, "Meta"} -> {{2282274, 2153408, 1999115}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{30227, 30992, 39102}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{34363, 1, 40573}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{138384, 170000, 141157}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1835778, 1408290, 1434690}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{97900, 1, 38570}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{58348, 76361, 80047}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{113900, 94253, 83829}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{79189, 1, 119524}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{104336, 85518, 80684}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{68336, 1, 1}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{122207, 1, 15061}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{101568, 46608, 167286}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{97416, 181053, 169116}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{136466, 1, 1}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{27646, 1, 1}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{37360, 1, 1}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1367234, 693748, 554105}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{79157, 100642, 82407}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{125340, 1, 1}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{63450, 35672, 24386}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{23244, 26722, 21558}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{159846, 139677, 131532}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{110712, 1, 23995}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{52329, 1, 1}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{187625, 1, 27214}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{71136, 83856, 67246}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{52836, 50626, 49247}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{312336, 303558, 273472}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{1, 1, 100735}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{355138, 113330, 116000}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{19562, 25496, 28868}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{697379, 686747, 730552}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{30629, 1, 1}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{26572, 1, 1}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{361380, 1, 1}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{22883, 61166, 68569}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{29309, 1, 1}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{119633, 1, 1}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{100984, 1, 1}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{529590, 1, 55616}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{93362, 1, 1}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{58042, 1, 1}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{255945, 212073, 185330}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{299096, 1, 1}, {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", 
      ""}}, {569.3693, 13.525403, "Meta"} -> {{1557070, 63675, 123707}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{80314, 1, 1}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{46555, 1, 1}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{48321, 1, 1}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{27341, 1, 1}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{78722, 1, 1}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{2457936, 1, 90400}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{466053, 1, 1}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{177255, 20677, 15700}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{66597, 68245, 42278}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{113407, 1, 1}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{587115, 1, 1}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{44240, 48795, 43096}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{40763, 33981, 30625}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{44916, 65961, 60544}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{288407, 1, 1}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{45467, 1, 1}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{31786, 1, 1}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{201375, 1, 1}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{104607, 1, 1}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{54068, 1, 1}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{44238, 1, 1}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1328985, 1, 32402}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{26745, 24499, 22271}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{200053, 1, 16956}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{3274505, 3215653, 2660838}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{1, 14060, 9897}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{386402, 474601, 413039}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1, 800453, 772385}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{46460, 49269, 55988}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{71820, 1, 1}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{34745, 1, 34792}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{78361, 67865, 60002}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{123993, 90696, 78447}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.98*^7, 1.65*^7, 1.52*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{760616, 643096, 730286}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{47502, 67460, 50578}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1787937, 1771228, 1702586}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{113002, 127220, 136459}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{140178, 1, 1}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{46375, 1, 19552}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{108120, 159135, 120363}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{46605, 10058, 14597}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1023671, 584643, 637024}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{142252, 131394, 116920}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{132072, 1, 1}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{1, 122235, 90908}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{24210, 25093, 15965}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{97640, 125534, 105542}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{523315, 1, 1}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{45038, 1, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{38494, 30645, 26939}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{576672, 1, 53014}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{943700, 1, 26790}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{94634, 1, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{12148, 16385, 31955}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{42485, 1, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{70138, 1, 1}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{48040, 56529, 42915}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{58030, 1, 1}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{2092155, 132718, 882264}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{409211, 1, 1}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{218062, 1, 1}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{221954, 1, 1}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{58283, 1, 35293}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{157423, 1, 1}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{28738, 1, 32757}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2387681, 19405, 77117}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{47186, 1, 1}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{28187, 24612, 1}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{24427, 1, 1}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{219895, 177701, 146200}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{220124, 136120, 140859}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{26364, 19872, 20070}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{35619, 1, 1}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{222253, 1, 1}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{94740, 1, 1}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{80316, 93576, 68689}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{2.14*^7, 1.78*^7, 1.69*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{69540, 74940, 54323}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{1, 35325, 29195}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{130719, 132141, 115403}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{102698, 89259, 87313}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{28382, 1, 1}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{245146, 399635, 336820}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{27660, 34121, 35134}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{54994, 75045, 66335}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1739035, 1470574, 1762936}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{119532, 119882, 122042}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{17311, 47482, 49158}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{132659, 213035, 200726}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1795972, 1446863, 724605}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{122057, 118020, 134763}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{213080, 118895, 87641}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{36502, 20751, 1}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{85595, 100196, 81364}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{48654, 72220, 1}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{326417, 1, 1}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{34056, 1, 1}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{46522, 50790, 37429}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{1, 40501, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{78308, 1, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", 
      ""}}, {242.2248, 13.660813, "Meta"} -> {{1617750, 1174413, 1141572}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{23624, 25574, 15255}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{140891, 86145, 57988}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{215062, 160487, 163515}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{78706, 1, 1}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{99283, 115656, 106011}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{18379, 1, 1}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{217773, 1, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1541381, 75884, 155039}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{24890, 46496, 39903}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{30493, 51843, 49656}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{37720, 1, 24012}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{63915, 1, 62473}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{32421, 47003, 45139}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{2347427, 1, 134501}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{33289, 32237, 23821}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{13455, 53301, 42621}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{560789, 1, 1}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{66291, 83266, 85425}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{105578, 1, 1}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{87408, 1, 1}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{68784, 144511, 133676}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{36359, 1, 1}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{5067008, 120260, 289122}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{273425, 26344, 104611}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{57090, 1, 22668}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{33590, 21867, 18907}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{32482, 19618, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{137213, 1, 13740}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{86467, 1, 1}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{265327, 1, 1}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{329283, 413356, 430624}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{98923, 1, 1}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{108244, 1, 1}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{31004, 81676, 59242}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{28111, 1, 1}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{368530, 1, 39380}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{26253, 1, 1}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{89777, 1, 1}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{938218, 1, 1}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{19858, 1, 19441}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{89235, 1, 1}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1401350, 1, 1}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{160050, 1, 24357}, {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic \
acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=44.55, \
overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{8917320, 1, 28994}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1576650, 1, 82445}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{110465, 1, 1}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{54151, 1, 1}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{209811, 1, 1}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{28485, 20406, 22870}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{262037, 1, 1}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{73290, 1, 1}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{24700, 1, 1}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{182746, 309679, 319434}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{345179, 97808, 90991}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{95056, 39169, 40876}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{2629469, 24173, 119721}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{42157, 1, 1}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{55592, 1, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{56741, 8369, 26657}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{2635031, 2307450, 2084890}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{153700, 1, 1}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{142201, 1, 1}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{131277, 1, 1}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{24986, 67686, 43462}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{72397, 25288, 28398}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{38557, 1, 1}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{26657, 25388, 15618}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{198771, 1, 1}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{656421, 1, 1}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{258843, 340489, 316644}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{42141, 1, 1}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{27870, 1, 1}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1499662, 1, 25813}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5099835, 108715, 767219}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{37066, 116566, 149730}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{97747, 1, 1}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{33294, 1097811, 1095044}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{57586, 91192, 79882}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{290280, 359448, 336632}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{88513, 184014, 138382}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{64022, 57446, 49143}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{35490, 65150, 64605}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{22199, 13538, 13643}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{26176, 18719, 16276}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{142213, 33727, 32676}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{286109, 312676, 281534}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{1.74*^7, 1.91*^7, 1.68*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{210878, 1, 34798}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{40765, 26498, 31259}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{614298, 139488, 331806}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{6141049, 5107209, 5050532}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{23944, 155936, 137971}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{86830, 1, 15804}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{1, 23167, 19531}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{295173, 384444, 346376}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{65526, 197828, 181110}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{281934, 63015, 140689}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{76019, 252899, 208687}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{33497, 1, 1}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{131653, 1, 1}, {"1-(8Z,11Z,14Z-eicosatrien\
oyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H74 O5, db=90.28, \
overall=90.44, mfg=90.61, KEGG ID=, CAS ID= ]", ""}}, 
   {364.2172, 13.803227, "Meta"} -> {{34685, 119624, 99531}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{27685, 1, 1}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{81957, 255281, 235461}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{39482, 1, 1}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{180181, 1, 1}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{204127, 362222, 314745}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{836315, 1, 65163}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2728211, 294904, 803968}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{2247582, 1, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{251478, 196620, 177362}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{111407, 1, 1}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{259825, 490642, 483332}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{33610, 1, 1}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{1, 1, 1}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{3341815, 42237, 161256}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{213616, 1, 14440}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{110277, 256175, 227484}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{85617, 27153, 26105}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1749758, 1, 75537}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{97244, 1, 1}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{517500, 1, 1}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{1, 1, 49117}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{78802, 319829, 243436}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{158847, 213488, 225789}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{74783, 65877, 65902}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{68146, 1, 46436}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{23071, 20051, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{2108349, 1904154, 1972390}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{123024, 121729, 111874}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{191010, 1, 1}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{321600, 1, 1}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{2321234, 147223, 1}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{240023, 281095, 287775}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{31322, 44046, 42351}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{115500, 1, 18476}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{367461, 217300, 210922}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{89926, 92981, 95498}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{206827, 195873, 170980}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{86040, 171823, 135313}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{62982, 1, 1}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{17753, 21588, 2331125}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{1094862, 248414, 318509}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{37621, 35824, 35347}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{49754, 1, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{35358, 1, 13982}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2718482, 2721786, 2832486}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{788131, 1, 26645}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{62115, 23403, 28599}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{29720, 1, 15344}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{37527, 15715, 19784}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{281602, 111264, 102088}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{89740, 33658, 27270}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{57399, 25845, 1}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{67381, 43790, 34277}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{42363, 23032, 20142}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{287939, 238915, 248025}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{266599, 187098, 272046}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{52613, 93977, 16244}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 46615, 43703}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{116126, 54156, 56454}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{26971, 1, 1}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{27101, 11289, 14049}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{1, 422325, 365155}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{86644, 1, 76838}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{59268, 1, 1}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{308074, 355485, 324822}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{138827, 98282, 96656}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{44814, 1, 1}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{36488, 50409, 36968}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 35537, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{64127, 1, 25710}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{206645, 1, 12420}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{36878, 39707, 25849}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1603296, 325040, 461888}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{110715, 124275, 107015}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{231886, 1, 29997}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{56189, 63680, 55712}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{125719, 143486, 138762}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{25138, 1, 1}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{1, 486041, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{88470, 1, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{73854, 1, 17013}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{1, 1, 22709}, {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", 
      ""}}, {436.3164, 13.907481, "Meta"} -> {{11776, 35057, 28217}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{170675, 336351, 292578}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{108272, 92057, 41487}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{351136, 200579, 370225}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{309019, 1, 1}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{984695, 1, 161020}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{88367, 104672, 108460}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{149287, 1, 1}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{79195, 107394, 114199}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{571378, 644862, 1}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{258419, 1, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1137798, 1, 30863}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2284425, 1631343, 1569470}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{1047958, 1084090, 1040235}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{92307, 1, 1}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{66412, 131526, 37761}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{649889, 1, 40409}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{34171, 1, 1}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{249689, 54073, 49659}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{46941, 1, 1}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{67099, 32768, 35843}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{217122, 108068, 88631}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{66539, 36110, 45764}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{54126, 16179, 12070}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{93668, 85733, 85450}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{614811, 527951, 454705}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{6.51*^7, 4.15*^7, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{67344, 47298, 38969}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{107569, 83208, 87004}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{60789, 1, 1}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{21300, 1, 1}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{140244, 66280, 49620}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{86179, 49834, 39612}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{195943, 156717, 134460}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{41817, 28878, 26020}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{27567, 26249, 16080}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{33715, 17748, 9433}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{71480, 88216, 61758}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{132125, 112027, 114203}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{292734, 305137, 308258}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{58466, 69904, 62066}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3478290, 3080904, 3089831}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{44552, 40957, 1}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{83635, 117994, 89038}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{1, 26910, 22005}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{23043, 52209, 53021}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{1, 67890, 46905}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{15575, 15182, 13892}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{40881, 1, 43289}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", 
      ""}}, {396.3237, 13.99129, "Meta"} -> {{12979, 61995, 42787}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{104631, 83733, 75985}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{94939, 67823, 57895}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{174975, 26589, 37318}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{60995, 1, 1}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{30602, 1, 1}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{64231, 55986, 40323}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{100377, 93717, 54420}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4291064, 3862395, 3703173}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{23449, 14634, 13703}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{959506, 1032894, 1109003}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{85127, 22410, 35168}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{271717, 282232, 252343}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{191934, 115876, 120592}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{189397, 270391, 268247}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{31388, 78360, 76415}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{43723, 46230, 52357}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{48621, 73158, 46684}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1296534, 833876, 898890}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{78525, 100342, 95944}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{154921, 1, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{88687, 1, 1}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{33660, 1, 1}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{525301, 625744, 571997}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{60820, 88243, 30413}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{74767, 1, 1}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{142187, 215178, 197352}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{60865, 1, 1}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{288154, 1, 9926}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{105006, 67290, 63284}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{22984, 1, 28308}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{829353, 11265, 30188}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{1, 17534, 16575}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{870232, 758210, 741675}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{55705, 38586, 41083}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{93415, 1, 1}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{46674, 30531, 28492}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{330151, 159885, 138032}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{358750, 416330, 342081}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{278516, 270870, 241095}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{115411, 1, 1}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{433180, 1, 1}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{500593, 7673, 18083}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{378963, 573288, 441416}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{65988, 27891, 56475}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{5231859, 73641, 204752}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{60209, 1, 22921}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{60100, 47097, 41007}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{682532, 569952, 519571}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1127068, 847497, 962563}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{1, 1, 26202}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{154158, 1, 1}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{157818, 119514, 98681}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1299996, 1183220, 1209121}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{752862, 630270, 573771}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{27802, 19870, 25204}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{92446, 31075, 23773}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{33028, 127346, 94346}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{34164, 49678, 56134}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{49474, 98247, 97292}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{191996, 220605, 244982}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{1, 167360, 113875}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{1.12*^8, 8.54*^7, 8.48*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{107354, 107917, 91017}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{26641, 1, 1}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{25355, 37708, 36357}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{74878, 42711, 1}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{74806, 96051, 61835}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{15764, 43721, 32476}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{44866, 50317, 55510}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{108578, 130617, 113660}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{24169, 54191, 49556}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{23962, 47353, 45352}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{147147, 167464, 171717}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{87174, 108677, 95014}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{365629, 1, 1}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{147198, 375757, 308936}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{17788, 1, 68394}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{22597, 70862, 53976}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{1, 47412, 32126}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{74661, 1, 1}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{27988, 1, 153845}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{279240, 250734, 227934}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{3314897, 3562705, 3547415}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{1081809, 1088751, 986203}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{1, 134841, 129726}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{21113, 1, 1}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{39996, 1, 1}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{475763, 469651, 1}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{43302, 1, 39887}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{53420, 34464, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{131294, 1, 20096}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{25917, 28258, 1}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{19702, 1, 1}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{305069, 386851, 888956}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{53027, 40780, 20183}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{23417, 13862, 21622}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{78353, 190756, 170202}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{305664, 368370, 340885}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{59701, 1, 1}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{52325, 58749, 61365}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{105950, 71009, 59470}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{47061, 60816, 82860}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.26*^7, 597881, 1583114}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{150863, 126503, 120528}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{521926, 1, 1}, {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", 
      ""}}, {328.2979, 14.143391, "Meta"} -> {{309829, 74285, 79024}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{2007340, 1, 1}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{1.85*^7, 24790, 210535}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{1, 51795, 90760}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1215759, 1, 1}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{119278, 1, 1}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{4169325, 131601, 334625}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{39082, 1, 1}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{276985, 1, 1}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{609445, 1, 1}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{9128158, 556434, 1207948}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{53635, 1, 1}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{115001, 135386, 1}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{308209, 15494, 66614}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{744000, 814500, 661522}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{244967, 1, 23378}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{93087, 1, 1}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{22737, 21334, 14363}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{76589, 93721, 72089}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2058358, 1357213, 1336117}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{129346, 1, 1}, {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", 
      ""}}, {368.2477, 14.167957, "Meta"} -> {{24390, 18154, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{179208, 12180, 31066}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{174082, 221475, 198085}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{104994, 1, 1}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{31200, 1, 1}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{102466, 109998, 112755}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{19939, 21366, 21148}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{35946, 76238, 65335}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1939384, 36180, 103469}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{840845, 2531546, 2325741}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{123696, 262697, 234746}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{68309, 247440, 219708}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{64991, 35611, 64814}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4478144, 4706262, 4491634}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{117035, 25334, 61853}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{61442, 25219, 20194}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{5236725, 1866223, 1709699}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{1488798, 708935, 699932}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{96882, 52722, 72910}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{22160, 27004, 1}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{81252, 156911, 1}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{401148, 233829, 216523}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{1, 900156, 855603}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{25514, 13946, 10765}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{208385, 116128, 125836}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{47265, 1, 1}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{201097, 118383, 117398}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{34672, 22818, 37176}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{31921, 1, 1}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=82.32, \
overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{315889, 102130, 151617}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{325932, 323567, 279967}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{87455, 98208, 99529}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{244533, 62119, 90378}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{36776, 64448, 71730}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{88143, 124264, 104067}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{81053, 80662, 71108}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{117251, 116810, 114573}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{189273, 1, 1}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{45730, 1, 1}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{136198, 266984, 215804}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{3261044, 1109913, 1096115}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{155162, 64192, 66606}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{69004, 90347, 69706}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{417603, 169476, 178086}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{1, 1, 44046}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{1, 430253, 416726}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{1, 258004, 233885}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic \
acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= ]"\
, ""}}, {350.282, 14.253435, "Meta"} -> {{42026, 20132, 17949}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{121068, 103159, 119170}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{1.32*^7, 6196353, 5429376}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{235137, 240335, 222636}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{1, 54518, 58197}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{39988, 40218, 35744}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{189069, 243826, 186906}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{1156386, 410729, 391827}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{1, 84550, 1}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{1, 22374, 29954}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{164686, 83839, 80603}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{98042, 70450, 59587}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1989030, 782096, 764207}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{85165, 79008, 62791}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{591275, 138653, 209951}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{1, 39259, 30386}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{33168, 21189, 21234}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{216951, 110470, 100557}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{495619, 1, 357253}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{117617, 58317, 44909}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{80459, 66995, 1}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4968144, 4510787, 4006937}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{277600, 116841, 121475}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{137234, 110781, 111780}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2868663, 2546226, 2122434}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{43193, 30916, 14792}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{294384, 372219, 264370}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{31527, 38251, 34832}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{79092, 30778, 32007}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{53993, 24078, 44998}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{517606, 1, 219452}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{30067, 48028, 41701}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{1, 1011169, 854260}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{556697, 482955, 407397}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{1, 5165510, 4669337}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{37331, 82289, 25298}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{54374, 275534, 1}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{675957, 527563, 588590}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{30295, 41617, 39079}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{276021, 128822, 140532}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{47771, 12069, 9979}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-\
cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{411298, 1, 1}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{136463, 1, 1}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{38159, 69673, 45501}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{3940959, 3904930, 3247728}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{54550, 1, 1}, {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", 
      ""}}, {352.1709, 14.331971, "Meta"} -> {{1, 47395, 43589}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{478964, 135793, 144699}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{872191, 1, 1}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{43980, 1, 39951}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{140326, 66582, 67855}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{372941, 888777, 832357}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{121666, 47154, 53878}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{35443, 18313, 19977}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{348237, 159233, 181075}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{25591, 1, 1}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{168524, 22922, 16473}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{28293, 1, 1}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{133510, 1, 8093}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{30662, 1, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{698627, 78373, 96751}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{22363, 1, 1}, {"Ubiquinone 8 [ C49 H74 \
O4, db=61.47, overall=63.06, mfg=64.65, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{74892, 1, 10478}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{499987, 54322, 50046}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{59125, 13987, 19752}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{5.09*^7, 1.36*^7, 1.47*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{65232, 1, 1}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{52948, 22171, 16855}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{106953, 43748, 41127}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{37950, 1, 1}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{156275, 69266, 68072}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{46213, 20119, 22156}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2628709, 1525805, 1669405}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{46917, 16714, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{112109, 29647, 19509}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{124907, 175853, 177868}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{417293, 238165, 210644}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1195675, 1288060, 1160695}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{91306, 126811, 110051}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1751200, 1437735, 1502944}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{312633, 99046, 121447}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{1, 33804, 56998}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1653563, 1718470, 1506534}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{358713, 163330, 166858}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{432924, 658036, 505599}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{785110, 236976, 238178}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{22019, 1, 1}, {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", 
      ""}}, {448.2782, 14.412751, "Meta"} -> {{34472, 35016, 45171}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{523111, 340796, 288264}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{59825, 228349, 1}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{388457, 1, 1}, {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", 
      ""}}, {540.3808, 14.450665, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", 
      ""}}, {612.4378, 14.431779, "Meta"} -> {{27392, 66530, 1}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{500484, 1, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2112101, 1986946, 1714826}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{927382, 1850540, 1566269}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{45926, 55952, 53516}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{5020741, 1058803, 1104871}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{36696, 42677, 48436}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{116912, 20595, 31647}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{19043, 54713, 54344}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{48082, 1, 1}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{1, 1, 155111}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{64110, 1, 1}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{1936056, 1915287, 1670771}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{58077, 1, 1}, {"3beta,7beta-Dihydroxy-12\
-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, db=40.73, overall=40.55, \
mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, {617.2878, 14.457032, "Meta"} -> 
    {{12819, 26103, 17825}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{203426, 103705, 96555}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{229014, 100041, 152317}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{384412, 389610, 302308}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{435581, 325223, 330657}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{5962316, 6620278, 5694772}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{46210, 24867, 29583}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{1274961, 350673, 356604}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{64027, 1, 1}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1779585, 1191770, 1066200}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{400271, 62538, 54415}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{1, 1, 1}, {"(20S)-1alpha,25-dihydroxy-2\
0-methoxy-26,27-dimethyl-24a-homovitamin D3 / (20S)-1alpha,25-dihydroxy-2 [ \
C31 H52 O4, db=76.60, overall=77.02, mfg=77.44, Lipid ID=LMST03020502, KEGG \
ID= ]", ""}}, {360.3031, 14.495388, "Meta"} -> {{252603, 51100, 55492}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{57847, 1, 1}, {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", 
      ""}}, {422.3164, 14.500791, "Meta"} -> {{242631, 1, 1}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{393007, 1, 29840}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1640206, 2127290, 1886182}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{541294, 685714, 1}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{1, 591969, 535779}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{44679, 71920, 60523}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{59728, 63211, 56504}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{88999, 89295, 77868}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{65596, 85004, 1}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1036720, 2172580, 1631909}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{39806, 17797, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{423675, 29832, 32276}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{88411, 57554, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1126626, 882052, 1}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{544507, 526556, 419667}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{146158, 108549, 1}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{1, 1, 1}, {"26,27-diethyl-1alpha,25-dih\
ydroxy-23-oxavitamin D3 / 26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ \
C30 H50 O4, db=79.45, overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG \
ID= ]", ""}}, {578.3823, 14.552807, "Meta"} -> {{267324, 13208, 23570}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{34268, 1, 1}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{243872, 1, 1}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{151761, 1, 1}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{42394, 24259, 26597}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1890777, 1791092, 1534978}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{426877, 461999, 339985}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{180861, 1, 1}, {"1-(11E-octadecenoyl)-rac\
-glycerol [ C21 H40 O4, db=93.99, overall=94.85, mfg=95.72, KEGG ID=, CAS ID= \
]", ""}}, {616.4681, 14.60106, "Meta"} -> {{924285, 1410271, 1457187}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{100448, 19048, 20031}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{150231, 18427, 20757}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{814110, 180374, 199943}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{15361, 36336, 31745}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{210466, 94026, 78340}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{39235, 1, 177656}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{189926, 66346, 41773}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{1, 196368, 179498}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{87239, 41739, 34011}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{74907, 1, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{39036, 17409, 24785}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{55766, 1, 1}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.98*^7, 3.93*^7, 3.47*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{233079, 281750, 164153}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{1, 83682, 65880}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{155667, 128942, 99100}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{167174, 84803, 119702}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{72980, 11502, 15454}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{116165, 1, 1}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{30000, 1, 1}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{23504, 1, 1}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{133518, 79033, 74827}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{84469, 100311, 92004}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{129957, 133945, 123059}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{110846, 101268, 84354}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1964392, 1162232, 1322855}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{217895, 1, 188236}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{1068914, 977571, 870311}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{207030, 155783, 1}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{841529, 38418, 51483}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1947065, 1234797, 1181346}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{64969, 50666, 52611}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{1, 31938, 28614}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{96149, 1, 26841}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{336618, 1, 29823}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{226033, 1, 1}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{187641, 181162, 155401}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{534535, 161636, 345572}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{33925, 1, 1}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{83680, 1, 1}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{39664, 1, 1}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{21089, 1, 1}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{443374, 35905, 39033}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{63929, 1, 1}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{92286, 51866, 57475}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{109265, 1, 13244}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{218441, 32870, 32841}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{163761, 20238, 23459}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{56728, 1, 1}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{197639, 75707, 37875}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{42449, 1, 1}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.57*^7, 1.51*^7, 1.47*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{303095, 96920, 48170}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{37227, 1, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{131971, 48486, 47297}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{58370, 56712, 50207}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{547418, 438269, 384949}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{478447, 425192, 387152}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{95533, 41368, 35971}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{185713, 120143, 114763}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1, 1041346, 922342}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{106979, 68318, 58579}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{1133505, 1162572, 1189994}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{872502, 728768, 677806}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{110114, 175240, 178167}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{192566, 16220, 21440}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{74338, 66170, 45636}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1634551, 105186, 169360}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{249248, 15594, 21080}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{118487, 1, 1}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{58303, 85106, 58002}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{274633, 175044, 149086}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{87327, 1, 1}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{768629, 331854, 248351}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{48634, 73335, 63862}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{92402, 59718, 1}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{4070547, 3514599, 2878383}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1185839, 644080, 629476}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{62992, 1, 1}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{228849, 1, 14332}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{226099, 31869, 31723}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{97863, 1, 10766}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{619916, 78704, 98288}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{114263, 1, 1}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{45175, 1, 1}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{380004, 238507, 228263}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{88038, 1, 1}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{112633, 1, 10863}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{289519, 41559, 48866}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{168540, 94327, 72447}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{256217, 33658, 45467}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{328598, 1, 1}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-\
24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid ID=, KEGG \
ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> {{22563, 1, 32153}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{233727, 148814, 146501}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{1069855, 512681, 402876}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{84051, 1, 1}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{1113049, 756653, 695477}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{169478, 1, 1}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{518401, 1, 73242}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{84547, 1, 1}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{1, 31190, 45439}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{59728, 1, 1}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{1, 77579, 114530}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{49363, 1, 1}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{262666, 1, 1}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{22572, 1, 13560}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{46493, 1, 1}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{70855, 1, 9789}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2395311, 255344, 487875}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{34296, 1, 1}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{643417, 418771, 419315}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{137426, 24577, 25676}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{56374, 1, 1}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{71180, 30206, 36199}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{122949, 1, 1}, {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", 
      ""}}, {364.3347, 14.869875, "Meta"} -> {{262309, 1, 15714}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{76843, 1, 1}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{277591, 21720, 24086}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{575975, 1260260, 1111097}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{232591, 1, 23778}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{398749, 183589, 181039}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{309082, 1, 1}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{3014596, 353592, 698137}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{43763, 1, 1}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{50452, 1, 1}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{79582, 55863, 59145}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{250903, 107429, 180484}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{286732, 14102, 21801}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{3936704, 2842538, 2582701}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{18482, 1, 43374}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{107145, 1, 1}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{21492, 1, 1}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, db=87.49, \
overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{1, 1, 182540}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{74537, 1, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{119430, 1, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{111901, 1, 1}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{250424, 15399, 16843}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1428588, 81181, 112001}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{38532, 53437, 52386}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{38312, 1, 1}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{87906, 1, 1}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{1075538, 99329, 194060}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{284268, 13210, 19362}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{115431, 25715, 53726}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{206301, 113545, 111138}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{31705, 1, 1}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{73812, 1, 1}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{41803, 63686, 59304}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{1, 1, 9341}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1098609, 1, 1}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{35611, 1, 1}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{245153, 1, 1}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{23263, 1, 20920}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{83150, 1, 1}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{3341661, 818141, 853849}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{1, 142305, 91378}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{716801, 3457384, 2959424}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{34429, 480383, 334025}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{90240, 1, 1}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{254915, 23083, 45604}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{1, 65022, 1}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{423586, 550794, 585149}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{54078, 1, 1}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{506011, 24788, 34611}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{11274, 1, 1}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{340925, 1, 147890}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{59711, 1, 1}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2203114, 891923, 984769}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{41510, 1, 1}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{837075, 1, 1}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{82699, 1, 19645}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{343150, 1, 35283}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{146194, 1, 1}, {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", 
      ""}}, {366.3506, 15.024555, "Meta"} -> {{1044799, 51950, 93100}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{64498, 1, 1}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{1, 1122426, 1168793}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{203904, 59235, 58890}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{87792, 1, 1}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{96951, 1, 1}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{66412, 1, 1}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{504290, 23294, 76918}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{388446, 1, 1}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{191806, 21544, 32661}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{39549, 1, 23285}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{90547, 1, 1}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{4057966, 930557, 1796605}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{51070, 1, 32443}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{61674, 49015, 51206}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{99631, 1, 1}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{49500, 1, 20363}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{49752, 44484, 95051}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{49178, 1, 1}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{35946, 59482, 50297}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{2845385, 233633, 215455}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{42882, 1, 1}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{41925, 1, 1}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{69420, 1, 1}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{89061, 92480, 85666}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{139754, 1, 21692}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{34654, 1, 1}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{1, 68484, 144649}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{212063, 22251, 1}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{59095, 15343, 14465}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{325881, 1, 1}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1342171, 230824, 485795}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{392272, 1, 1}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{24070, 22676, 59526}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{35926, 13305, 24685}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{4013926, 164797, 600702}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{64556, 1, 1}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{5387331, 34442, 72184}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1207073, 240315, 685204}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{643281, 1, 1}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{96747, 1, 1}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{42981, 19565, 28322}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{411185, 1, 1}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.8*^7, 138967, 322283}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{141803, 1, 1}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{132467, 1, 93223}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{78145, 1, 1}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{429346, 1, 1}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{22637, 79262, 116371}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{127502, 1, 1}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{82206, 1, 1}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{63379, 26658, 45473}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{44242, 12983, 54640}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{41166, 1, 1}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{820215, 1, 1}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{134948, 1, 1}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{31353, 23394, 26035}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{52050, 1, 1}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{144282, 24266, 59731}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{173717, 1, 1}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.55*^7, 74113, 157974}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{207164, 16015, 22708}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{8715109, 45637, 125260}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, \
db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{101050, 1, 1}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{196084, 1, 1}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{27960, 1, 1}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{107940, 1, 1}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{26030, 34190, 1}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{12078, 1, 1}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{85513, 1, 1}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{1, 318645, 380028}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{5307438, 1, 1}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{33374, 1, 1}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{292155, 1, 1}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{24826, 27666, 1}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1687019, 1, 1}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{14486, 31655, 51964}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{9746260, 161403, 345849}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{865908, 135544, 224751}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{135896, 1, 1}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{232243, 1, 1}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{335025, 79763, 125081}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{36092, 1, 1}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{13047, 38630, 61487}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{45251, 1, 1}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{192658, 30652, 34514}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{28482, 1, 20840}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{25377, 41760, 1}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{523459, 236810, 315624}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{66331, 1, 1}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1327807, 981572, 1211258}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{4271464, 276815, 479314}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{40220, 39836, 45910}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{759164, 64468, 97964}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{122089, 1, 27184}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{993082, 59985, 94127}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{269550, 42301, 60481}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2620601, 1674108, 2370010}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{46448, 1, 1}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5805263, 388218, 619325}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1823290, 115801, 176048}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{341989, 21166, 29417}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{185123, 1, 12385}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{65763, 172509, 175840}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{92825, 24139, 33736}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{16151, 1, 1}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{653975, 35237, 48502}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{892768, 1, 1}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{41185, 1, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{107697, 1, 1}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{394227, 230867, 278995}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{3248027, 128641, 167997}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{79746, 1, 1}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{2243682, 94891, 128410}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{48505, 1, 23962}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1237685, 692871, 883682}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{143093, 1, 1}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{136677, 113191, 123764}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{121368, 67700, 77955}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{18671, 1, 1}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{413398, 15455, 23717}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{72680, 62472, 72462}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{89154, 1, 1}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{104761, 54682, 67182}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{381590, 1, 1}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{1944402, 60138, 90448}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{85672, 1, 1}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1624655, 1029160, 766760}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{301725, 1, 14991}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{6924104, 291869, 427376}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{18457, 1, 1}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{66311, 1, 1}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{141077, 60821, 87266}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{1461715, 69265, 101578}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{294529, 1, 12665}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{103927, 1, 1}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{951640, 41885, 69546}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1148356, 609596, 766375}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{25077, 1, 1}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{526962, 18221, 27656}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{147484, 1, 1}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{3235253, 1199201, 410853}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{581306, 1, 18071}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{49902, 1, 1}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{320953, 1, 1}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{200356, 1, 1}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{379563, 228777, 281693}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{110690, 175874, 115813}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1453598, 13720, 24706}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{297926, 1, 15823}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{180253, 45920, 78004}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{113546, 1, 1}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{204484, 1, 1}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{101339, 1, 1}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{219531, 1, 41248}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{81204, 73308, 42955}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{898615, 309131, 455270}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{171338, 56184, 62190}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{325862, 1, 17613}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{106876, 1, 29036}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{29415, 105406, 137032}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{289375, 11861, 16348}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{48254, 1, 32747}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{63973, 1, 1}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{538797, 13777, 24841}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{47725, 1, 1}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{227787, 72992, 116442}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{1, 125645, 106361}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{17706, 1, 1}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{54645, 1, 1}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{481621, 144850, 208930}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{30712, 1, 1}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{810179, 26206, 43819}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{769099, 1, 22636}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{40711, 1, 1}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{86690, 1, 1}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{64104, 1, 1}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1712332, 25899, 46796}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{82316, 1, 1}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{54448, 1, 1}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2339713, 258798, 432587}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{243713, 1, 37991}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{467972, 1, 21923}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1743134, 335254, 508421}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 42381, 76174}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{42186, 1, 1}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{134273, 1, 1}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{196365, 1, 53600}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{502251, 16337, 20203}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{19012, 1, 1}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{289324, 1, 1}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{537897, 1, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{1, 1, 20110}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{1, 100302, 150399}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{1024749, 33750, 81617}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{458558, 1, 46831}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{212216, 1, 35847}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{71991, 1, 1}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{951480, 40796, 104653}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{37341, 1, 1}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{119201, 1, 19982}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{187262, 1, 1}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{169283, 1, 1}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{170836, 1, 1}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{101443, 1, 1}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{393677, 1, 42359}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{392871, 1, 1}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{81218, 1, 1}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{41826, 1, 1}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{411579, 1, 21174}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{19852, 1, 1}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{875796, 1, 94456}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{440956, 1, 26931}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{65139, 1, 1}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1, 2177043, 1}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{173094, 1, 26523}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{1316421, 30959, 86756}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{100316, 1, 1}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{187290, 1, 15244}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{388526, 1, 1}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{163442, 1, 1}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{45737, 1, 1}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{645329, 1, 1}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{1, 24312, 1}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{27218, 23662, 25292}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{20229, 1, 22692}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{20736, 1, 22305}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{22961, 20697, 1}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{17651, 1, 17862}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{24095, 20662, 20606}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{15588, 13600, 12783}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{179519, 170270, 169749}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{200975, 185294, 192501}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{226403, 187556, 162242}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{418452, 382800, 385756}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{39898, 41990, 23625}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{1, 1, 241509}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{40416, 67492, 79465}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{318997, 228512, 296126}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{52286, 1, 1}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{1, 49573, 24424}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{120197, 112724, 106549}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{1, 183473, 167601}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{2587671, 2390476, 2231477}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{242718, 227948, 218186}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{154875, 58200, 1}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{103984, 98351, 91025}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{192771, 197790, 160909}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{56619, 49996, 46628}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{25666, 26152, 20790}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{1, 28672, 30477}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{1, 32167, 25701}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{24467, 1, 23295}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{24326, 30889, 21127}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{27711, 20267, 20589}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{99569, 1, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{279543, 1, 229091}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{1, 37661, 27310}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{73380, 108591, 131744}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{1, 30193, 14636}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{23389, 20359, 18716}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{16858, 22264, 18211}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{30894, 29325, 26502}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{30553, 29094, 23464}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{23205, 19658, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{35819, 37206, 1}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{1, 30587, 19505}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 43371, 36009}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{36474, 1, 45765}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{39202, 45390, 29646}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{1, 1, 1}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{37485, 43579, 32704}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{1, 39580, 129226}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{47087, 1, 1}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{74790, 104388, 113778}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{237884, 1, 29261}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{28576, 58267, 52845}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{204187, 127809, 121203}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{102379, 67390, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{21772, 61049, 51263}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{59628, 27582, 68576}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{62344, 1, 60214}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{95547, 127457, 144217}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{48639, 55371, 46944}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{75428, 115566, 1}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{37045, 47824, 26088}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{21057, 20969, 17837}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{91776, 93883, 93256}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{169420, 164337, 181080}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{70059, 120086, 113150}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{14603, 28751, 29181}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{1, 71620, 62792}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{499858, 745044, 588757}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{105246, 33727, 76993}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{1, 20083, 20460}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{22483, 1, 1}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{135321, 32494, 35618}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{264387, 113098, 105419}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{990670, 1, 189313}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{1, 35387, 1}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{110704, 207508, 155016}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1360307, 1321513, 1091566}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{150336, 1, 70339}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{109895, 134243, 1}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{209052, 74158, 44621}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{109649, 74089, 55446}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{1, 50441, 38395}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{16122, 9946, 40213}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{1, 1, 17802}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 56579, 1}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{47340, 94944, 149406}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{64669, 72111, 93330}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{20417, 138887, 112027}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{206664, 160190, 248425}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{34704, 1, 1}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{112899, 113767, 157552}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{695993, 491292, 562722}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{64758, 62663, 54694}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{132203, 163162, 160827}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{93434, 1, 47625}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{192592, 181349, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 323502, 100619}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{64313, 100131, 75907}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{70042, 66695, 55571}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{46365, 46192, 41972}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{33058, 37660, 28266}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{1, 169089, 130374}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{70185, 142626, 115832}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{59744, 32930, 37814}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{25862, 66179, 58837}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{252188, 336825, 304878}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{49533, 59569, 53518}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{21063, 49568, 26705}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{41461, 1, 29027}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{45260, 78509, 48039}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{54071, 1, 1}, {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", 
      ""}}, {544.4117, 14.453874, "Meta"} -> {{72395, 1, 1}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{245515, 146043, 146068}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{131517, 77826, 86135}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{454695, 615146, 551772}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{40880, 45602, 70021}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{39190, 50897, 35773}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{15480, 15536, 1}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{45952, 1, 141412}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 1, 104437}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "10" -> <|{457.0024, 0.34764, "Meta"} -> {{17699, 16577, 12904}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{24013, 27736, 1}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{14116, 13498, 14933}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{13286, 9837, 1}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{22262, 18513, 1}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{62723, 60293, 62376}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{41878, 32150, 39206}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{36843, 27577, 34877}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{13135, 1, 11191}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{12277, 12281, 12296}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{24677, 23662, 24375}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{17596, 16477, 14177}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{22909, 22782, 21587}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{23920, 24653, 25359}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{12286, 13130, 12522}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{21171, 21607, 20527}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{41701, 36616, 31611}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{60764, 56749, 50804}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{28197, 27577, 21975}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{81416, 75145, 73561}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{69722, 65016, 61523}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{63101, 52062, 45164}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{90614, 78061, 75409}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{52382, 42608, 42069}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{555494, 539899, 777974}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{24045, 23934, 21680}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{111179, 108095, 102349}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{56826, 60043, 51782}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{159498, 145760, 137066}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{86229, 78083, 70590}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{19800, 15261, 16689}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{323981, 281782, 281263}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{1, 26134, 21043}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{227593, 205413, 200682}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{47261, 50387, 46194}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{399846, 1, 366135}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{40417, 32919, 30437}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{824398, 789844, 768480}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{520116, 488492, 459188}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{939636, 902927, 852808}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{28267, 24701, 26289}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1468388, 1355754, 1368509}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1697909, 1622790, 1590851}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1183574, 1112210, 1098327}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1341046, 1265039, 1239065}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{21351, 22463, 20672}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{700585, 678969, 682151}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{67341, 65363, 64557}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3367379, 3393294, 3519613}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{47148, 45427, 45737}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{76637, 77856, 70073}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{56601, 52888, 52525}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{23660, 19432, 18722}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{75078, 71103, 70851}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{39388, 35206, 34698}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{80252, 71749, 72289}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{56823, 53868, 48331}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{14808, 11841, 12547}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{1, 14155, 1}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{16215, 12528, 14097}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{15086, 12650, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{208871, 1, 182386}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{693200, 685334, 688778}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{172130, 155434, 157006}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{143983, 140818, 142729}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{128978, 119045, 123453}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{22026, 29804, 28353}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{36979, 47433, 33245}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{112116, 103183, 1}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{354306, 322443, 319099}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{1, 65606, 1}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{1, 328056, 314812}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{104208, 1, 110379}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{1, 110445, 108460}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{203158, 197373, 187456}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{23752, 24107, 28246}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{1, 29919, 25755}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{101005, 97452, 93263}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{76231, 76407, 75069}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{143031, 157745, 133688}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{95272, 1, 84764}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1562489, 1560688, 251508}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{139109, 139256, 1}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{60743, 53455, 1}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{1, 166428, 1}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{9254357, 9023770, 8957993}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{105730, 93826, 89582}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{164836, 161129, 169871}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{1, 1, 1}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{59222, 57508, 56828}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{139165, 160773, 51163}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{218950, 170854, 189123}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{240944, 188185, 190460}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{607132, 468818, 496722}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{57879, 51397, 60859}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{253167, 263080, 405423}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{75042, 237383, 68537}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{1058520, 1135455, 1354206}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{277957, 1, 1}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2102527, 1913641, 1506685}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{60750, 44065, 48351}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{235048, 218206, 195275}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{230542, 68855, 283552}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{630502, 600678, 520669}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{176734, 161976, 123761}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{52992, 36216, 38464}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{108476, 93168, 84450}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{133325, 118082, 112030}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{37823, 32477, 30633}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{489359, 442186, 376761}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{26382, 19561, 25130}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{242650, 421142, 167784}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{60378, 43512, 47012}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8658512, 8187835, 7981572}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{79258, 84353, 1}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{182899, 156268, 169788}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{1, 480970, 371424}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{70881, 74989, 96775}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{40926, 68910, 30997}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{240597, 218387, 226360}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{156640, 103760, 1}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{35880, 32100, 1}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2231435, 2171491, 1862180}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{76667, 70662, 68379}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{1, 118757, 117307}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{450719, 537953, 447257}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{1, 14262, 30075}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{61098, 74122, 52305}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{135226, 123134, 1}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{108592, 118939, 116122}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{36076, 41763, 42547}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{17795, 18419, 21284}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{92304, 1, 87119}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.38*^7, 1.2*^7, 1.24*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{24111, 1, 1}, {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", 
      ""}}, {184.0236, 0.6534444, "Meta"} -> {{396704, 423834, 530951}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{622698, 583491, 572851}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{57150, 43699, 41262}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{120579, 94603, 99050}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{27897, 27368, 30036}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{874966, 761279, 796045}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{58173, 186310, 73427}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{26948, 25168, 27796}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{28374, 23665, 25826}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{29473, 25447, 27626}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{26336, 29135, 29856}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{23900, 18412, 20131}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{114841, 91652, 88412}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{36414, 27966, 37611}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{32129, 24506, 27897}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{32356, 1, 28992}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{160884, 196953, 206520}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{27180, 22284, 20991}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{89572, 66120, 84322}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{73422, 50415, 44906}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{249898, 259654, 253468}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{152016, 150783, 146472}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{169161, 170098, 182315}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{115378, 1, 87076}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{439205, 397326, 393432}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{95062, 78303, 1}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{1, 1, 1}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{37150, 1, 41430}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{356703, 247625, 1}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{59474, 48030, 1}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{383066, 1, 358029}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{289174, 270492, 316819}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5327221, 4874097, 5058028}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{110867, 110472, 39667}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{93588, 77397, 90660}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{48570, 42652, 42309}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1, 2096293, 1966561}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{148194, 1, 1}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{42962, 39200, 36986}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{76166, 71288, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.13*^7, 9587588, 1.05*^7}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{172936, 1, 237605}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{835753, 1, 1}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{7512039, 6780689, 6454567}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{304685, 1, 243447}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{165593, 170129, 125946}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{156087, 135980, 129605}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2760148, 2495867, 2539815}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{205663, 195935, 169390}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 \
O4, db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{111415, 87261, 76034}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{41037, 30360, 1}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{3685142, 3331713, 3060698}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{756267, 707415, 703726}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{129262, 1, 31106}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{112197, 91251, 86137}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{208845, 200308, 213374}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{15779, 18862, 26392}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{3.88*^7, 3.49*^7, 3.55*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1098028, 912430, 885679}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{317100, 1, 1}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{138974, 117586, 123890}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{71916, 1, 81815}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{73430, 68942, 72575}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{74082, 69931, 85702}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{57073, 1, 55616}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1038548, 1009756, 1040965}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{546170, 415854, 240733}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{63061, 56107, 59545}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{372859, 323590, 343881}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{29862, 25158, 1}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{114546, 111496, 106141}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{99399, 101419, 102700}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{33765, 32535, 32053}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{72347, 65073, 72364}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 67236, 110531}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{645733, 553844, 420754}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{131757, 109344, 82516}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{86737, 74906, 59233}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{1, 1, 1}, {"a-Methyl-3,4-dihydroxyphenylp\
ropionic acid [ C10 H12 O4, db=96.43, overall=96.70, mfg=96.97, KEGG ID=, CAS \
ID=53832-94-3 ]", "53832-94-3"}}, {351.1583, 5.5754156, "Meta"} -> 
    {{57139, 52681, 48272}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{40588, 37640, 35835}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{2938959, 2804293, 2787781}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{72874, 80512, 79590}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{243465, 246109, 259593}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{56551, 61630, 67204}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{61187, 54577, 54973}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{47054, 59013, 59840}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{84940, 80610, 94479}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{28849, 32742, 29380}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{146346, 146495, 134721}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{77658, 69689, 73239}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{33655, 38793, 46414}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{230202, 224551, 218039}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{475575, 443545, 445975}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{84172, 82001, 88147}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{93543, 93099, 99928}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{129027, 126921, 119645}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{1, 27910, 27454}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{159805, 160062, 145004}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{117029, 112153, 115504}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{25384, 1, 25023}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{1, 23197, 26197}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{249898, 235884, 217527}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{20122, 1, 19483}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{2330938, 2190850, 2115693}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{74617, 64222, 66504}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{112175, 124591, 125138}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{50131, 47067, 45385}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{510885, 507019, 405264}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{45598, 38866, 23317}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{463938, 316699, 183250}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{78521, 71171, 65317}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{108622, 112922, 107802}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{102199, 104410, 89087}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{2.04*^7, 2.01*^7, 1.62*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{43106, 39693, 37572}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{122455, 1, 122146}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{53839, 49760, 44378}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{795856, 751823, 754744}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{27019, 28981, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{15761, 14893, 17430}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{1, 1, 1}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{52550, 50152, 52136}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{1, 1, 1}, {"Methoxyhydroxymethylhydroci\
nnamic acid [ C11 H14 O4, db=86.54, overall=86.58, mfg=86.62, KEGG ID=, CAS \
ID=53832-93-2 ]", "53832-93-2"}}, {920.4252, 7.4629674, "Meta"} -> 
    {{90514, 84572, 87131}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{365501, 346269, 342797}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{1, 1, 26804}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{1, 1, 10462}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{619119, 577795, 573789}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{255862, 256387, 240101}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{93401, 95861, 99342}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{50731, 48292, 44822}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{647269, 605222, 587590}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{26754, 26017, 24370}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{37557, 33008, 33239}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{68225, 79725, 82807}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{419523, 404592, 409764}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{375519, 361382, 363530}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{33994, 28872, 28161}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{29390, 25687, 22114}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ \
C11 H12 O4, db=94.36, overall=95.12, mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]"\
, ""}}, {318.1222, 8.119849, "Meta"} -> {{44029, 42826, 39279}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{999098, 982326, 881584}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{45854, 42548, 41376}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{65166, 58181, 57746}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{277664, 261300, 268777}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{189012, 186608, 196741}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{40682, 42025, 42243}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{89677, 87618, 89379}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{511780, 472073, 379958}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{69559, 47510, 33034}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{80298, 70001, 70851}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{1, 21559, 26881}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{1446626, 1406078, 1368221}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{1, 34434, 28990}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{99449, 117310, 109065}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{883616, 867143, 811201}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{182150, 199844, 215745}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{48507, 61028, 57221}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{1, 1, 1}, {"QH2 [ C19 H28 O4, db=95.92, \
overall=96.14, mfg=96.36, HMP ID=HMDB01304, KEGG ID= ]", ""}}, 
   {201.1365, 8.716999, "Meta"} -> {{73983, 1, 80062}, 
     {"Capryloylglycine [ C10 H19 N O3, db=71.35, overall=72.27, mfg=73.19, \
HMP ID=HMDB00832, KEGG ID= ]", ""}}, {496.2309, 8.7241125, "Meta"} -> 
    {{278561, 251327, 252416}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{32847, 32943, 33041}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{91719, 78345, 70951}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{1024830, 1031417, 763473}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{145751, 142380, 110989}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{1181868, 1109515, 788240}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{90598, 91562, 73273}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{46857, 51570, 47357}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{134744, 148930, 129249}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{122754, 103682, 115855}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{355270, 266750, 1}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{97517, 90170, 86495}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{168614, 175168, 175314}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{62695, 54753, 58271}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{36906, 26940, 27431}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{124479, 117078, 107505}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{49856, 48330, 43551}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{210999, 212053, 221776}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{11505, 33838, 35858}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{185550, 174494, 169871}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{117173, 107946, 137042}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{1, 1, 1}, {"15-keto-PGE2 [ C20 H30 O5, \
db=78.53, overall=78.55, mfg=78.56, Lipid ID=LMFA03010030, KEGG ID= ]", ""}}, 
   {544.2876, 9.344885, "Meta"} -> {{37150, 33657, 1}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{73003, 71488, 59989}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{37864, 35445, 36198}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{82043, 68429, 80370}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{55446, 51235, 68938}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{186061, 196776, 181411}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{61080, 72859, 60071}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{35830, 40654, 43937}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{573278, 516062, 523422}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{159831, 149574, 145967}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{184766, 160841, 158260}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{84973, 93328, 93990}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{98004, 96437, 85265}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{43065, 35937, 37944}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{31736, 30997, 29390}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{209280, 201118, 198299}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{59201, 57039, 39453}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1663768, 1652652, 1672364}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{55480, 54610, 53751}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{64303, 64048, 59254}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{17309, 22236, 21722}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{485119, 479418, 468963}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{29806, 25029, 35672}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{31787, 35966, 36583}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{401813, 375013, 375320}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{198140, 168633, 161950}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{474119, 454312, 457211}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{34275, 36453, 36377}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{67266, 63686, 64447}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{79218, 67968, 76531}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{229114, 202173, 206606}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{46988, 53747, 47637}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{202660, 192039, 192290}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{89151, 78268, 85040}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{56172, 56002, 50237}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{68468, 62449, 56295}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{544038, 504143, 490622}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{39018, 34764, 33742}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{35587, 37569, 36063}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{22191, 21018, 19928}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{769368, 598250, 578078}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{112402, 95307, 91876}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= \
]", ""}}, {216.1362, 9.984428, "Meta"} -> {{67364, 62315, 63661}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{130264, 129651, 123351}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{23538, 42584, 29142}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{49797, 48827, 52319}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{5285582, 5126721, 4942320}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{14336, 15352, 14248}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{204717, 195979, 192987}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{37722, 37377, 37351}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{83922, 80187, 81257}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{199223, 202071, 197707}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{22904, 24475, 26417}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{18244, 18709, 24317}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{24004, 17107, 12914}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{16479, 16045, 17214}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{55850, 57619, 62756}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{39195, 37593, 39184}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{41414, 47232, 34457}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{64187, 61648, 63066}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{989476, 951992, 966223}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{53816, 48109, 33267}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{209941, 193565, 177826}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{50906, 47980, 49273}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{1, 41947, 1}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", ""}}, 
   {228.1361, 10.230742, "Meta"} -> {{68984, 82453, 54693}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{512230, 500128, 476107}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{37606, 41044, 33416}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{108924, 97737, 89422}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{73712, 64596, 1}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{483034, 484093, 510046}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{22294, 20939, 32257}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{132117, 109286, 115101}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{1, 1, 220599}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{327136, 308204, 1529333}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{62928, 61417, 292542}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{484331, 482408, 490454}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{48845, 40882, 46655}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{93093, 80423, 84708}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{54949, 34263, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{41477, 33976, 39700}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{29782, 29326, 28615}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{139621, 133896, 106273}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{61184, 55244, 55964}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{26090, 21441, 22868}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{108036, 114250, 118574}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{33553, 32265, 32651}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{34582, 41337, 31469}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{448048, 377300, 380763}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{16259, 18601, 21961}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{22133, 19998, 22193}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{187603, 188128, 191180}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{15849, 16651, 17349}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{30280, 29642, 28948}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{12739, 11733, 14446}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{64256, 60849, 61778}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{29864, 37424, 41808}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{108075, 89760, 49580}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{132878, 141520, 137793}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{36377, 33075, 32924}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{36395, 37171, 35503}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1168784, 1137349, 1146073}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{90278, 44421, 1}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{96519, 90895, 94980}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{213499, 153470, 149185}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{1, 20514, 1}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{1, 1, 1}, {"bicyclo-PGE2 [ C20 H30 O4, \
db=93.97, overall=93.98, mfg=93.99, Lipid ID=LMFA03010034, KEGG ID= ]", ""}}, 
   {188.1412, 10.695612, "Meta"} -> {{958610, 942359, 952712}, 
     {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, overall=99.91, mfg=99.92, \
HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{72543, 69605, 175290}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{34080, 49245, 46337}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{322207, 324836, 312999}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{26956, 24432, 21956}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{84947, 88611, 93705}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{178711, 150013, 160667}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{24800, 1, 53131}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{101276, 96891, 106950}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{189148, 180858, 173631}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{439627, 303582, 264729}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{18491, 11668, 11309}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{36647, 40562, 24796}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{34075, 36160, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{227741, 200210, 163354}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{132197, 128695, 128650}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{642286, 632839, 616929}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{471811, 438695, 453951}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{12584, 1, 12380}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{136823, 140188, 133201}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{91982, 66283, 48214}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{31116, 26709, 28769}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{153501, 154296, 149752}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{85611, 56455, 81893}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{106968, 98299, 113690}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{100267, 88748, 89020}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{34925, 30575, 30999}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{50474, 44930, 45492}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{38213, 39540, 41259}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{39535, 36389, 38902}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{49735, 49169, 37221}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{323645, 314681, 297757}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{27557, 31134, 21296}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{248224, 242381, 243396}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{576133, 527617, 531427}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{25563, 24325, 27679}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{27562, 21241, 27000}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{149577, 137096, 133398}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{14006, 14348, 15526}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{9892, 18404, 1}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{60318, 49150, 49019}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{69814, 64714, 67434}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{181602, 164670, 192095}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{38974, 35537, 35974}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{35548, 33104, 34760}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{1, 1, 1}, {"16a-Hydroxydydrogesterone \
glucoronide [ C27 H36 O9, db=68.68, overall=69.46, mfg=70.25, KEGG ID=, CAS \
ID= ]", ""}}, {450.181, 11.291778, "Meta"} -> {{25428, 23366, 22678}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1196786, 1275746, 1200570}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{13519, 15606, 1}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{90342, 89814, 90463}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{22579, 20723, 21421}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{609223, 555688, 539120}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{51124, 48351, 50362}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{93741, 85637, 79804}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{69295, 60683, 60237}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{54753, 47259, 39136}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{262794, 211820, 205345}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{39163, 45788, 44040}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{59969, 59573, 60569}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{42553, 1, 31996}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{30352, 33756, 33577}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{137639, 145249, 156712}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{141395, 142404, 145347}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{5530663, 5604445, 5520204}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{44631, 39657, 35731}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{31722, 35289, 39559}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{13035, 13592, 16545}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{39262, 40052, 43824}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{93090, 100695, 101007}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{253885, 260734, 246988}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{45247, 52631, 51536}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{53218, 20108, 56005}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{22738, 25760, 23220}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{66160, 75826, 59326}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{142654, 126113, 127766}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{27316, 34956, 27070}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{80545, 68404, 76432}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{172998, 168708, 165024}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{157000, 166316, 165037}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{55767, 56474, 48199}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{83010, 1, 63538}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{14486, 14550, 17484}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{293285, 285687, 270510}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{29962, 29565, 28098}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{46072, 48661, 47628}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{28227, 26270, 26869}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{155167, 168850, 144960}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{1327319, 1276548, 1041224}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{51222, 57039, 53846}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{175028, 163561, 155683}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{187695, 161463, 165929}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{37047, 32391, 34209}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{18476, 21300, 19731}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{231363, 202809, 200583}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{43246, 42079, 40653}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{92832, 68508, 72282}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{17993, 1, 14588}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{289199, 288127, 288834}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{80853, 76914, 82892}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{56466, 57150, 39475}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{107747, 103895, 102913}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{57006, 54452, 58163}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1606170, 1482467, 1456115}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{25484, 22595, 24514}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{18914, 16186, 15277}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{115333, 106823, 104462}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{138534, 169495, 145791}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{50066, 38649, 36966}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{165236, 153849, 142229}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{289343, 261429, 258029}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{54010, 40733, 42695}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{66861, 71639, 71518}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1603134, 1621131, 1621053}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{104873, 106754, 107295}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{101176, 101160, 108604}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{1579543, 1525823, 1515220}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{100047, 99486, 84443}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{1, 1, 1}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{297061, 266326, 258739}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{31310, 48321, 47351}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{26311, 26191, 30781}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{40332, 49439, 1}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{67709, 69605, 74016}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1087180, 1076612, 1094775}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{104222, 105152, 103119}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{52179, 47268, 44173}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{79746, 81486, 71548}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{42691, 41490, 40413}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{75150, 77709, 76969}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{136855, 126886, 108860}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{71165, 65795, 67117}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{20812, 18690, 1}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{44205, 41082, 42894}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{607938, 571488, 570698}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{38483, 83791, 74944}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{26375, 1, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{144362, 131293, 146721}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{28730, 24323, 27423}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{98110, 102395, 92020}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{24029, 18737, 32489}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{201742, 214164, 231483}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{1, 27746, 26704}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{405443, 371263, 353155}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{26252, 24550, 25863}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{60830, 57263, 55457}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{362574, 343717, 345463}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{85900, 75082, 72940}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{30382, 24892, 24724}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{150974, 146794, 139422}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{291227, 312405, 310786}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{30009, 43199, 39852}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]"\
, ""}}, {414.2078, 12.023414, "Meta"} -> {{178026, 164163, 162615}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{1, 22058, 21469}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{1, 1, 61153}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{123291, 126360, 126431}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{14679, 1, 16398}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{332444, 291819, 301786}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.81*^7, 2.61*^7, 1}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{308136, 321260, 315404}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{714926, 661243, 689986}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{65228, 66652, 63495}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{139098, 128135, 122828}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{36642, 28001, 30722}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{41847, 36500, 35549}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{18260, 18249, 21887}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{1, 18725, 19675}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{93275, 93818, 86803}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{61190, 63603, 64550}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{15776, 18287, 35676}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{48584, 44498, 42850}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{43015, 42479, 47426}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{18719, 18266, 21504}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{257293, 259446, 246567}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{36932, 40127, 1}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{27596, 32418, 35274}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{22907, 27573, 37324}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{55374, 58217, 55666}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{58082, 60211, 52115}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{37567, 35246, 36184}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{589062, 615570, 617672}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{21320, 1, 22734}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{72132, 71616, 68845}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{50146, 85507, 116484}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{277240, 253940, 235922}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{48124, 43411, 36256}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{63822, 65075, 59108}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{29996, 34389, 27944}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{1, 19510, 20706}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{1, 1, 1}, {"Cholic acid glucuronide [ C30 \
H48 O11, db=80.82, overall=82.02, mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", 
      ""}}, {434.2883, 12.167889, "Meta"} -> {{61708, 59325, 59564}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{63875, 88429, 78975}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{2935314, 2920206, 2895615}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{311343, 327545, 343351}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{48166, 50214, 49996}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{119516, 125471, 147560}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{130264, 135286, 144377}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{45251, 51363, 54809}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{68558, 1, 58392}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{41245, 36812, 38501}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{152897, 137568, 148806}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{34133, 34148, 31936}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{3172605, 3182648, 3139850}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{37729, 32963, 30636}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{20368, 41177, 18526}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{24041, 19837, 25690}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{188828, 187943, 187640}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{237973, 263784, 239097}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{369773, 367540, 374335}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{1, 18905, 1}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=73.27, \
overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {324.211, 12.24494, "Meta"} -> {{29026, 34080, 32937}, 
     {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, db=62.97, overall=63.62, \
mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, {314.2459, 12.245145, "Meta"} -> 
    {{115344, 113348, 121398}, {"Octadecanedioic acid [ C18 H34 O4, db=89.21, \
overall=89.84, mfg=90.47, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {308.1627, 12.250629, "Meta"} -> {{130889, 127467, 128869}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{126449, 118381, 116496}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{270583, 282366, 289563}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{49731, 51945, 47005}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{80727, 72398, 71535}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{33728, 31792, 39376}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{19566, 21153, 25276}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{431637, 422443, 419157}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{75217, 79638, 80336}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{51144, 61420, 57371}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{32597, 23740, 1}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{46357, 51603, 54363}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{1, 34330, 68783}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{32645, 23641, 27514}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{88836, 120626, 88106}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{96109, 85277, 84460}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{39292, 29543, 32591}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{16287, 15389, 62046}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{54408, 55038, 50354}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{60317, 63940, 59316}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{298316, 1, 1}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{487520, 499180, 481417}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{106323, 90473, 111493}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{47900, 1, 30894}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{1, 37205, 32728}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{47952, 56975, 60070}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{1, 255792, 256775}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{24104, 16256, 19142}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{1, 30855, 28620}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{441160, 417113, 405474}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{26078, 30482, 31875}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{108967, 122487, 127259}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{80294, 82954, 92999}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{119408, 101631, 114488}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{72343, 77000, 73418}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{8590977, 7975007, 8091021}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{266188, 253000, 269893}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{21409, 19460, 23312}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{101645, 132413, 101833}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{45202, 48519, 41385}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{132102, 123526, 121299}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{110240, 1, 117783}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{6066269, 6088586, 5992986}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{36865, 37995, 43781}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{88054, 80617, 83569}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{101272, 105495, 139340}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{83739, 80846, 78393}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{47873, 46600, 47932}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{37912, 39036, 41014}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{219290, 224772, 223285}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{27019, 28578, 29280}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{1, 1, 97032}, {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", 
      ""}}, {270.2192, 12.44093, "Meta"} -> {{58083, 57040, 67996}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{105349, 95720, 92057}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{17475, 17912, 18109}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{32124, 16589, 35682}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{184940, 164790, 180379}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{403788, 409468, 449216}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{56715, 58127, 54827}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{23745, 24367, 22254}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{121247, 129815, 128494}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{81835, 67060, 77442}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{56959, 53961, 42189}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{54648, 70958, 1}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{366172, 464342, 344305}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{19428, 21075, 22728}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{66850, 79402, 75651}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{12643, 13625, 43062}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{116430, 154576, 128041}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{68805, 91781, 111544}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{77565, 81127, 83314}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{4892572, 5324968, 5254142}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{45516, 47852, 46324}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{62299, 78266, 78320}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{44605, 38362, 35273}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{228570, 212332, 221026}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{20391, 41076, 24985}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{39238, 54646, 37345}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{27401, 24748, 29607}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{18840, 21052, 21693}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{41814, 49474, 45845}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{41684, 1, 57439}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{122718, 141386, 127088}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{131900, 139064, 130161}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{80232, 110889, 98396}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{58267, 67757, 76759}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{458964, 538339, 522240}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{97584, 109265, 97481}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{35947, 42055, 29664}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{155225, 165063, 168994}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{43354, 33736, 31673}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{207058, 165766, 144499}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{455804, 547120, 520286}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{1, 1, 81570}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{16782, 29772, 923132}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{154584, 176431, 176139}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{24867, 22630, 33785}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{1, 1, 630186}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{67187, 97437, 69256}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{14831, 1, 66615}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{270424, 1, 296731}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{86313, 93768, 24195}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{1, 1, 329053}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{23072, 19920, 21097}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{246759, 274986, 232140}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{1, 1, 186984}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{50352, 54775, 46076}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{82586, 87944, 71020}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{14563, 1, 1}, {"D-Urobilinogen [ C33 H42 \
N4 O6, db=58.23, overall=58.96, mfg=59.69, HMP ID=HMDB04158, KEGG ID= ]", 
      ""}}, {461.252, 12.689134, "Meta"} -> {{30118, 31862, 40840}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{316292, 317077, 288908}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{328305, 354925, 523973}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{503123, 491001, 421639}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{237670, 237772, 215966}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{206687, 220665, 194517}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{116653, 118628, 116681}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{163442, 198376, 166725}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{1, 61701, 63523}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{1, 1, 185348}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{129582, 137852, 93237}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{32178, 31045, 28380}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{34921, 31308, 32164}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{23036, 22553, 24635}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{61367, 67232, 64243}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{589248, 600829, 555672}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{18775, 1, 1}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{322718, 293290, 254192}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{28566, 34956, 28110}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{1, 22458, 11743}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{20835, 19427, 501113}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{1, 1, 119089}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{76545, 80094, 66805}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{72458, 72265, 1594485}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{522928, 468926, 527845}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{58555, 62928, 60850}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{1, 1, 51797}, {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", 
      ""}}, {472.1768, 12.765059, "Meta"} -> {{54679, 55320, 51664}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{74736, 84147, 68087}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{223924, 225046, 259004}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{1, 1, 53854}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{47447, 43727, 42837}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{349028, 355731, 314729}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{51146, 54942, 39690}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{168669, 161878, 207342}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{15476, 12608, 14331}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{1711366, 1604933, 1821780}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{236111, 237634, 251360}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{1, 1, 11904}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{29446, 31299, 22468}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{36298, 42016, 48098}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{1, 1, 32341}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{207211, 217601, 308856}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{1, 1, 132791}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{65162, 67517, 74174}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{38940, 57149, 1336470}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{82474, 81680, 81985}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{1, 1, 17125}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{214511, 212619, 161015}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{1, 1, 321451}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{20838, 22001, 21753}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{1, 1, 86703}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{226913, 203986, 218675}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.28*^7, 2.1*^7, 2.02*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{191504, 183341, 178085}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{713213, 696414, 711507}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{100679, 100194, 63339}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{260449, 256087, 178198}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{52092, 1, 26181}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{43011, 39355, 51144}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{48828, 51979, 25881}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{71334, 68862, 65924}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{65749, 64597, 78780}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{1, 53418, 49224}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{65160, 64430, 72743}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{1, 1, 35179}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{1, 46643, 59027}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{11624, 11823, 16123}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{23649, 31368, 17709}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{36211, 46036, 972865}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{182099, 182213, 165962}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{31127, 26355, 30589}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{53517, 54268, 81881}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{1, 1, 47019}, {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", 
      ""}}, {889.5133, 12.89332, "Meta"} -> {{1, 1, 57488}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{1, 1, 90620}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{14021, 15317, 53954}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{52432, 42876, 37570}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{1111642, 1037363, 813975}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{1, 1, 23697}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{126993, 113851, 135200}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{76611, 55725, 54975}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{17283, 1, 92031}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{358892, 314796, 499370}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{1, 1, 73924}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{138862, 148550, 147840}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{1, 1, 404281}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{588959, 537045, 556239}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{43510, 1, 64312}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{62740, 54923, 80451}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{105709, 131758, 3562114}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{1, 1, 27320}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{204007, 219050, 2965037}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{1, 1, 24404}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{1, 1, 18861}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{1, 1, 82938}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{100858, 86187, 107839}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{538129, 331625, 180926}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{575408, 580488, 603702}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{1, 1, 217776}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{41341, 31202, 60041}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{97383, 71914, 60463}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{1, 1, 99232}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{29605, 40383, 1358381}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{17647, 16981, 1}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{157060, 143104, 161785}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{1, 1, 373032}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{1, 1, 326614}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{77760, 58637, 87342}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{1, 1, 101464}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{1, 1, 58549}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{92132, 114411, 1753275}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{1, 171673, 145131}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{25646, 26194, 139850}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{69863, 44037, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{1, 1, 227154}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{1, 13191, 98900}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{92904, 108596, 19419}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{162220, 143435, 142752}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{51020, 52434, 56689}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{1186842, 1043327, 586385}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{1, 1, 251062}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{42965, 47122, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{14108, 1, 23323}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{101461, 106537, 119129}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{380100, 1, 400906}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, \
db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{1, 1, 180804}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{18130, 23649, 30680}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{52450, 1, 54183}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{1, 1, 38626}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{90414, 66284, 83435}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{46955, 37014, 14329}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{1, 1, 207188}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{1, 1, 84744}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{1, 1, 372479}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{180272, 182992, 2190438}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{52158, 42221, 68279}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{1, 1, 53988}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{1, 1, 114436}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{1, 222020, 2625640}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{67234, 85448, 1872605}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{1, 1, 88897}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{22746, 25912, 46883}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{53013, 45243, 1055404}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{65767, 46869, 92157}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1288637, 1498672, 8843322}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 18826, 53428}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1063732, 1312578, 650687}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{192865, 131003, 84813}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{1, 1, 22368}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{1, 1, 80882}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{182848, 122143, 125674}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{1, 1, 76261}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{60917, 54308, 91463}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{45535, 59467, 1367743}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{89820, 85420, 69096}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{506390, 588403, 3122279}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{15672, 26014, 323559}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{62442, 57111, 65411}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{1, 25733, 25745}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{67138, 56802, 71198}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{1, 1, 78637}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{4937484, 4473219, 1491969}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{38090, 59943, 483408}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{389321, 349652, 302293}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{991423, 1267181, 645968}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{788721, 745564, 260161}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{1, 14476, 442483}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{131873, 149923, 106457}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{25956, 38884, 29689}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{223334, 1, 2852084}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{1, 1, 273661}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{118338, 107834, 85352}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{1, 1, 472766}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{1, 1, 825861}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{1, 1, 202642}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{1, 1, 77390}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{1, 1, 237501}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{37149, 41987, 29697}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{300521, 278863, 309152}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{313357, 299063, 332211}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 32383, 25775}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{47699, 63905, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{177713, 180412, 87852}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{108585, 97296, 16479}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{471685, 401144, 133180}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{162329, 156979, 56081}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{33065, 30639, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{108776, 89994, 101305}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{18367, 1, 15492}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{120482, 129701, 42001}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{1, 1, 137825}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{24155, 32192, 82473}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1, 1, 583283}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{1, 1, 64578}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{1, 34534, 1}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{1, 1, 85195}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{1, 1, 83054}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{1, 1, 21827}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{1, 1, 69473}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{28550, 35884, 17031}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{163994, 137217, 76252}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{248547, 215717, 114018}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{1, 1, 36035}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{1, 1, 91886}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{1, 1, 24050}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{31340, 41423, 38651}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{1, 1, 55027}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{91627, 92379, 86977}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{1, 1, 32942}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{152005, 112498, 136166}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{35606, 25901, 57803}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{1, 1, 250011}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{17442, 35015, 19694}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{118002, 154778, 2856796}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{1, 1, 73868}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{23340, 28393, 335606}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1, 26216, 1428356}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{23953, 18784, 547191}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{114325, 230547, 3290926}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{21312, 28475, 78362}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1756995, 2660029, 1.25*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{1, 1, 317471}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{21699, 18445, 21594}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{391671, 378733, 277571}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{1, 350629, 434021}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{1, 1, 1}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{309215, 276549, 123351}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{83644, 94540, 496850}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{56974, 63001, 149716}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{45878, 55748, 52894}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{21088, 21442, 21997}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{81219, 67739, 121139}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{56501, 46007, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{1, 1, 152171}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{85052, 78111, 104759}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{29032, 24230, 24415}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{2073373, 1812624, 479826}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{1, 1, 216241}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{22016, 19945, 18031}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{27205, 19282, 41769}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{1, 1, 397001}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{18099, 33022, 905734}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{1, 1, 102439}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{211860, 188192, 149143}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{278753, 331158, 2444516}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{1, 1, 292037}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{52677, 52324, 95026}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{73586, 42459, 66853}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{853852, 753275, 257122}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{530673, 370176, 334293}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{1, 1, 54199}, {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", 
      ""}}, {464.3137, 13.325612, "Meta"} -> {{186581, 188804, 134481}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{1, 1, 23342}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{66316, 52308, 56513}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{682355, 597014, 450374}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{41835, 39021, 60263}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{288365, 281831, 292640}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{71933, 61380, 54706}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{171778, 237953, 39315}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{1, 1, 38104}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{133813, 88750, 31601}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{1, 1, 104087}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{1, 1, 143235}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{34153, 37602, 42996}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{55808, 1, 484995}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{1, 1, 44658}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{460271, 418299, 176089}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{119542, 124847, 2448702}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{1, 1, 14261}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{22175, 1, 146779}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{31375, 49666, 29701}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{100155, 133763, 93194}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{403257, 268541, 166627}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{78306, 44208, 55099}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{35931, 1, 25579}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", 
      ""}}, {492.3272, 13.347747, "Meta"} -> {{191773, 157995, 103742}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{260764, 229699, 116502}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{31030, 41848, 36957}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{1, 1, 106172}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{1, 1, 51939}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{1, 16519, 394659}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{401079, 353952, 462944}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{22754, 25562, 43998}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{1, 1, 127095}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{1, 1, 224425}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{1, 1, 197189}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{40766, 29334, 58650}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{13975, 28777, 2716113}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{639008, 901602, 1.07*^7}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{55458, 45268, 41060}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{1, 1, 85427}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{1, 1, 116737}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{57877, 51163, 40720}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{50500, 50817, 50217}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1620701, 923989, 2747713}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{1, 1, 138048}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{71339, 59894, 266969}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{1, 1, 107789}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{471720, 458448, 260126}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{86403, 61705, 96281}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{1, 1, 266905}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{345417, 325495, 108457}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{637024, 593855, 795399}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{1, 1, 238605}, {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", 
      ""}}, {544.4701, 13.451083, "Meta"} -> {{1, 1, 95127}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{1, 1, 141879}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{1, 1, 131475}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{1, 1, 111887}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{58610, 75953, 442585}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{36312, 31766, 32138}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{1, 1, 20624}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{56582, 57046, 80049}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{218329, 186504, 78982}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{8511447, 8012634, 9807489}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{1, 1, 34556}, {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", 
      ""}}, {290.2271, 13.45814, "Meta"} -> {{1462105, 1278114, 1443676}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{18151, 18856, 1}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{1, 12789, 16031}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{60960, 59943, 47257}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1000144, 907647, 1295206}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{1, 1, 26128}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{57666, 48927, 34343}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{1, 1, 81011}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{133091, 121369, 90286}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{57200, 43885, 92558}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{1, 1, 33944}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{1, 1, 66056}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{62983, 103932, 147653}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{122271, 131548, 67100}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{1, 1, 35547}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{1, 1, 26509}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{1, 1, 29186}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{599467, 598799, 1704693}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{67398, 47477, 65779}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{1, 1, 218493}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{28568, 32103, 1}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{28300, 28645, 26215}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{85270, 71856, 97772}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{63634, 40296, 79792}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{1, 1, 79382}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{1, 1, 287747}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{62871, 64727, 64457}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{1, 33333, 38148}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{147798, 150732, 144420}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{69075, 100088, 42412}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{1, 89394, 435869}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{50119, 27672, 57739}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{986275, 736942, 1089859}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{1, 1, 29744}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{1, 1, 38717}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{1, 1, 342742}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{90281, 81668, 26787}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{1, 1, 39652}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{1, 1, 90069}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{1, 1, 100064}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{1, 23696, 513209}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{1, 1, 50079}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{1, 1, 49937}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{221298, 1, 251741}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{1, 1, 159876}, {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", 
      ""}}, {569.3693, 13.525403, "Meta"} -> {{1, 106717, 1535679}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{1, 1, 63164}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{1, 14996, 46388}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{1, 1, 48686}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{1, 1, 33070}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{31772, 1, 130632}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{23432, 35710, 2230324}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{1, 1, 378592}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{1, 1, 129892}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{71060, 107336, 63856}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{1, 1, 187848}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{1, 1, 513872}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{47056, 51451, 52116}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{50101, 15444, 17839}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{56441, 45354, 42713}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{1, 1, 202934}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{1, 1, 38105}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{1, 1, 36587}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{1, 1, 176923}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{1, 1, 57446}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{1, 1, 67380}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{1, 1, 69800}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1, 1, 892809}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{25533, 29301, 42053}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{1, 1, 97169}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{3954851, 3808639, 5171638}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{17681, 18185, 1}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{22844, 22371, 17271}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{585963, 550723, 560848}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1009763, 595947, 1918857}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{47690, 43043, 35858}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{1, 1, 45234}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{29470, 30720, 26041}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{51103, 49058, 63294}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{69468, 60342, 99357}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.15*^7, 1.14*^7, 1.35*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{572980, 531167, 919513}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{49732, 48623, 1}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1487666, 1386688, 1461575}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{107869, 105736, 120561}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{1, 1, 52779}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{21617, 16836, 53864}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{94365, 68118, 37730}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{29917, 13311, 130704}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{861544, 637470, 1580960}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{91525, 96120, 107816}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{1, 1, 73287}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{206472, 175864, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{34073, 18304, 10332}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{119240, 112524, 118944}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{1, 1, 492673}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{1, 12592, 27986}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{31404, 31209, 53086}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{1, 25819, 668491}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{1, 10904, 42857}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{1, 1, 475409}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{1, 1, 63014}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{40658, 45511, 26734}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{1, 1, 66305}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{1, 1, 33695}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{71566, 54078, 52841}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{1, 1, 21237}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{135519, 450665, 1139045}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{1, 1, 221283}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{1, 1, 78561}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{1, 1, 117686}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{1, 1, 27194}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{1, 1, 110767}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{49586, 88633, 68777}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{13794, 21938, 1111762}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{1, 1, 44130}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{42747, 35795, 30387}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{1, 1, 27803}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{81567, 82253, 125274}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{139195, 105720, 205906}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{17358, 12907, 23458}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{1, 1, 10393}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{1, 1, 153347}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{1, 1, 53087}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{107936, 92060, 68514}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.31*^7, 1.3*^7, 1.65*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{55353, 54084, 70948}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{70106, 105568, 121194}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{81818, 77155, 69847}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{75476, 72090, 94844}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{1, 1, 32390}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{452460, 379585, 253281}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{27565, 27655, 27376}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{59472, 46248, 49710}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1548650, 1356808, 1488457}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{180468, 120742, 177830}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{68103, 47575, 37021}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{172117, 169111, 100809}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1748350, 1632996, 1795055}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{126400, 135428, 97305}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{126025, 119438, 249012}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{23010, 15695, 40007}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{114200, 172442, 80281}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{56844, 1, 58334}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{1, 1, 211377}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{1, 1, 50432}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{41819, 30338, 49831}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{1, 1, 1}, {"13E,17-octadecadienoic acid \
[ C18 H32 O2, db=84.50, overall=84.60, mfg=84.71, Lipid ID=, KEGG ID= ]", 
      ""}}, {765.5877, 13.661706, "Meta"} -> {{1, 1, 26949}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{470682, 397069, 591306}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{29143, 27221, 26782}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{67467, 37194, 331921}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{1, 1, 123936}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{1, 20158, 61606}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{127718, 141784, 100490}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{1, 1, 17227}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{1, 1, 242612}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{101701, 175354, 1667469}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{47424, 49117, 1}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{84093, 1, 45532}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, \
db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{1, 21820, 91020}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{1, 1, 59980}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{1, 42597, 74519}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{15568, 1, 1318795}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{38811, 30805, 35821}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{62707, 59535, 20500}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{1, 1, 470821}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{91663, 90292, 73738}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{1, 1, 86158}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{1, 1, 64460}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{187011, 194373, 100209}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{1, 1, 18605}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{147552, 239302, 4880218}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{25516, 49697, 242741}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{1, 20498, 56809}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{17870, 1, 31492}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{28304, 1, 62236}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{1, 1, 192341}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{50212, 1, 23025}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{1, 1, 148465}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{626610, 414708, 602453}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{1, 1, 35508}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{1, 1, 71710}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{76038, 72007, 49415}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{1, 1, 10773}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{1, 1, 370901}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{1, 1, 13267}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{1, 1, 25895}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{1, 1, 320169}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{1, 1, 60973}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{1, 1, 28776}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1, 1, 889255}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{1, 1, 114728}, {"1alpha-hydroxy-26,27-dinorvitamin D3 25-carboxylic \
acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, db=44.55, \
overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{1, 1, 3782789}, {"1,2-di-(8Z,11Z,14Z-eicos\
atrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, overall=89.24, mfg=89.23, KEGG \
ID=, CAS ID= ]", ""}}, {366.2541, 13.706363, "Meta"} -> 
    {{87343, 1, 887909}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{1, 1, 177627}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{1, 1, 16227}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{1, 1, 112472}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{24673, 24371, 33353}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{1, 1, 46877}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{43180, 1, 45278}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{1, 1, 36326}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{365523, 357838, 176764}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{101808, 88348, 305717}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{37610, 36556, 80001}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{10675, 1, 916150}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{1, 1, 22162}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{1, 1, 42555}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{1, 25587, 54660}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1123386, 1096701, 1385166}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{1, 1, 62559}, {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", 
      ""}}, {694.5558, 13.729958, "Meta"} -> {{1, 1, 99030}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{1, 1, 144477}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{21358, 22983, 13643}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{34345, 82364, 65765}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{1, 1, 16287}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{1, 1, 14385}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{1, 1, 116826}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{1, 1, 599882}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{203518, 244824, 181321}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{1, 1, 35313}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{1, 1, 30791}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1, 23062, 1389946}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{364153, 1, 4808452}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{199345, 184423, 173370}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{1, 1, 121103}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{1275792, 1336036, 780338}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{29380, 122688, 45760}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{315467, 458236, 253673}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{132539, 126436, 111840}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{65584, 63665, 92694}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{60434, 1, 26007}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{18237, 17846, 24474}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{25026, 22265, 35803}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{25452, 27791, 99390}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{421605, 395550, 434731}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.18*^7, 1.95*^7, 2.2*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{1, 36244, 242786}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{1, 33773, 20389}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{218201, 365316, 704478}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{6519749, 6032983, 7390052}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{167890, 191271, 33054}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{1, 15475, 95178}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{26237, 24485, 9658}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{406904, 370541, 346115}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{222718, 207293, 74418}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{108708, 158887, 293845}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{266589, 230413, 92081}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{1, 1, 24745}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{1, 1, 56294}, {"1-(8Z,11Z,14Z-eicosatrieno\
yl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H74 O5, db=90.28, \
overall=90.44, mfg=90.61, KEGG ID=, CAS ID= ]", ""}}, 
   {364.2172, 13.803227, "Meta"} -> {{140887, 119633, 1}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{1, 1, 16987}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{255473, 232244, 101217}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{1, 1, 46335}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{1, 1, 220191}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{288951, 254808, 127428}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{1, 54291, 649031}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{382180, 656615, 2005329}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1, 1, 1820533}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{167705, 160029, 208480}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{1, 1, 80244}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{392254, 354011, 125960}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{1, 1, 19310}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{1, 22469, 1}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{45957, 80789, 2492577}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{1, 1, 69282}, {"Ubiquinone 8 [ C49 H74 \
O4, db=69.60, overall=69.56, mfg=69.52, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{403709, 326960, 107404}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{1, 1, 103483}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, overall=54.22, \
mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1, 51371, 1361450}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{1, 1, 59109}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{1, 1, 424191}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{43750, 1, 57170}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{213344, 207344, 65868}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{252485, 293063, 166301}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{77681, 61022, 1}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{1, 34903, 49742}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{1, 1, 153018}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1764250, 1745988, 1656823}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{154345, 142296, 117324}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{1, 1, 181828}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{1, 1, 337531}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{1, 1, 2365680}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{226098, 259550, 236326}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{15852, 14932, 10924}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{1, 1, 57013}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{95429, 85312, 161759}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{116344, 91056, 67583}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{139978, 145860, 153668}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{78122, 80955, 68789}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{1, 14734, 42905}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{21643, 27309, 22028}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{788896, 731579, 872452}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{40392, 33514, 41440}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{34210, 40428, 41005}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{30286, 33469, 33382}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2612269, 2609865, 2287933}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{1, 1, 328125}, {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", 
      ""}}, {612.2584, 13.870605, "Meta"} -> {{68226, 65651, 51529}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{46789, 34529, 24584}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{42812, 34357, 32885}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{329556, 297496, 224435}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{103711, 1, 59129}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{61275, 55509, 36691}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{105990, 91235, 55425}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{64369, 53931, 37961}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{158010, 1, 185245}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{355846, 1, 1}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{20821, 100920, 10722}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{42749, 42943, 32920}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{162551, 148021, 81143}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{24030, 26037, 33951}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{32643, 33499, 25574}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{450315, 395587, 248863}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{137252, 126452, 1}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{1, 1, 81401}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{446282, 444839, 345212}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{75731, 90074, 118224}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{1, 1, 58196}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{1, 40205, 92715}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 36934, 50124}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{1, 1, 71692}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{1, 1, 280310}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{73031, 65879, 52138}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{516896, 385547, 2498366}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{165224, 147851, 112718}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{1, 1, 313316}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{79701, 88689, 65087}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{235076, 231337, 161154}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{1, 1, 21092}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{436235, 1, 566045}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{1, 1, 129752}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{1, 14968, 46657}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{17908, 16973, 38479}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{1, 1, 13539}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{247915, 244659, 210192}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{91860, 67924, 85523}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{371468, 449337, 364669}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{1, 1, 129990}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1, 23835, 537831}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{114359, 95535, 118122}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{1, 1, 85924}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{158662, 145504, 118790}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{1, 1, 674833}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{1, 1, 69990}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1, 1, 480289}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2146966, 2132715, 2593723}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{17090, 2593387, 1895850}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{1, 1, 63876}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{33890, 64678, 115933}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{1, 36095, 530033}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{1, 1, 18009}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{71136, 71275, 311812}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{1, 1, 39288}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{53134, 37427, 31531}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{60913, 60363, 167053}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{32715, 31192, 57114}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{16475, 1, 17158}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{46924, 53308, 59752}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{364482, 364131, 437264}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{3.17*^7, 3.16*^7, 5.35*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{20381, 20311, 52056}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{70394, 67021, 82372}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{1, 1, 40033}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{1, 1, 16364}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{72424, 51908, 62190}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{50796, 35306, 31008}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{131890, 124366, 175545}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{16793, 16373, 42879}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{10153, 10628, 26365}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{1, 1, 30211}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{102785, 98209, 104245}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{102776, 107425, 111998}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{251694, 239678, 223444}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{1, 45557, 65065}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{2809468, 2869124, 3342814}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{25809, 18626, 26564}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{79252, 75964, 78352}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{43309, 29006, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{49900, 45027, 1}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{34189, 36972, 43529}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{1, 1, 16584}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{66428, 1, 74270}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{72560, 68672, 125369}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{51252, 56739, 125907}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{36537, 30065, 229712}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{1, 1, 72896}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{17853, 21017, 26831}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{53021, 42042, 87869}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{53832, 36835, 38532}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4587038, 4542477, 6276050}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{11747, 12399, 22487}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{1753834, 1769746, 896760}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{52866, 49701, 153897}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{326353, 315059, 1}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{61878, 58084, 97074}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{383636, 362155, 267540}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{105914, 30648, 35835}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{1, 63817, 64125}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{50788, 73296, 64722}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{967202, 661338, 1644530}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{135874, 118033, 91862}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{1, 1, 189463}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{1, 1, 38515}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{47360, 45401, 49430}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{715104, 687197, 518841}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{39819, 25981, 39155}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{1, 1, 63342}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{263752, 242845, 164530}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{1, 1, 56180}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{1, 1, 157858}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{61908, 61137, 73946}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{33177, 33141, 28063}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{1, 12196, 401342}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{52119, 26989, 32177}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1746149, 1082730, 1343067}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{40441, 320196, 66465}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{1, 1, 70931}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{29649, 21369, 31953}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{122441, 130988, 287488}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{395869, 436132, 324383}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{284299, 656876, 276010}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{1, 1, 49846}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{1, 1, 290126}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{1, 1, 254170}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{589352, 1, 401679}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{95059, 18746, 45702}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{56434, 75150, 2402433}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{20786, 1, 103222}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{47099, 45019, 56071}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{781621, 688335, 679895}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{830633, 997124, 1433698}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{1, 17110, 317595}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{199527, 181057, 158772}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{141866, 90736, 71044}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{880804, 850513, 1057654}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{462995, 424177, 720964}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{16705, 15146, 28972}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{40997, 22275, 18892}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{79157, 89495, 1}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{38218, 33245, 30058}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{81647, 71271, 61353}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{154048, 153316, 157291}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{118836, 124801, 57962}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{6.96*^7, 6.76*^7, 9.24*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{109971, 66919, 49481}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{1, 1, 30383}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{67923, 69614, 46196}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{25730, 26329, 111199}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{71248, 69453, 51871}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{17043, 20763, 22008}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{38640, 35692, 35885}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{149373, 141047, 205662}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{50235, 47741, 31806}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{36505, 32575, 27409}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{130101, 120314, 110982}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{68261, 63695, 60916}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{68636, 56480, 594119}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{332137, 348831, 237566}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{1, 46476, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{35081, 37457, 29456}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{25382, 1, 14710}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{1, 1, 59372}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{1, 155075, 35041}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{208761, 189239, 228977}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{3272868, 3090055, 2771784}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{2821193, 2682548, 2352902}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{1, 106289, 1}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{1, 1, 50921}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{1, 1, 23066}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{380945, 370747, 354374}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{49690, 28437, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{31053, 35510, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{32085, 28208, 27021}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{1, 1, 26258}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{449579, 1, 331145}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{26292, 1, 20474}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{28183, 38024, 40334}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{68087, 66359, 1}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{401479, 392801, 1}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{72205, 1, 1}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{57804, 1, 1}, {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", 
      ""}}, {356.2722, 14.132971, "Meta"} -> {{93177, 94753, 127588}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{99509, 66039, 300339}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{418218, 743578, 7350805}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{163180, 168744, 168403}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{1, 1, 96029}, {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", 
      ""}}, {328.2979, 14.143391, "Meta"} -> {{83319, 90153, 364755}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1, 1, 821335}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{21267, 65523, 8464365}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{67990, 84404, 43500}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1, 1, 549232}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{1, 1, 85839}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{130089, 220407, 2508637}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{1, 1, 21847}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{1, 1, 189056}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{1, 1, 448023}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{577189, 766195, 6370341}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{1, 1, 40587}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{117728, 121771, 94052}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{1, 31550, 268930}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{801989, 751952, 832005}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{1, 1, 217272}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{1, 1, 95774}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{13962, 11081, 17964}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{97720, 109045, 86794}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{1553369, 1493501, 2625644}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{1, 1, 121809}, {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", 
      ""}}, {368.2477, 14.167957, "Meta"} -> {{14260, 20393, 31038}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{12278, 20280, 142159}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{126219, 221172, 166503}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{1, 1, 91371}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{1, 1, 23601}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{173818, 153555, 155990}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{22737, 33012, 1}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{47177, 47476, 35553}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{24080, 42207, 970141}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{2392203, 2164916, 660154}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{306573, 300003, 188355}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{278053, 306267, 99576}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{63656, 42231, 65135}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{5011638, 5323577, 4800037}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{25460, 37548, 129141}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{1, 10591, 39946}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{1021729, 1110733, 3410162}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{1980875, 1766643, 3374620}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{39371, 71184, 106299}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{24610, 29792, 24869}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{157493, 147018, 105330}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{190516, 163981, 329368}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{1060547, 959366, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{12728, 8947, 20900}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{139018, 138183, 264067}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{1, 10840, 30767}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{123335, 136302, 214995}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{10101, 18454, 28757}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{1, 1, 33163}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=82.32, \
overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{99521, 149618, 258865}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{340359, 381735, 399907}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{248726, 220760, 289765}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{121104, 50464, 203589}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{72221, 75822, 59195}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{74904, 31960, 85489}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{73926, 90894, 84628}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{127307, 105722, 133947}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{1, 1, 96599}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{1, 1, 29095}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{266066, 262835, 1}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{1028384, 998777, 2859154}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{66345, 68374, 147188}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{41858, 1, 47164}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{170318, 159811, 393120}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{71901, 69066, 31176}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{420930, 1, 353612}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{274074, 289229, 539228}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{1, 10931, 17756}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{107995, 140806, 1}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6776869, 6860945, 7928185}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{237724, 272250, 281130}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{55744, 55628, 51474}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{37862, 32013, 53054}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{194690, 185399, 142933}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{458883, 470314, 597896}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{79275, 70813, 142097}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{35147, 25806, 126824}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{63506, 63741, 160754}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{64349, 73486, 103702}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{443698, 391359, 32569}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{73274, 97547, 105228}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{1, 86962, 1}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{33103, 29773, 68462}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{26578, 1, 1}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{87944, 99018, 143618}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{383130, 487222, 580157}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{1, 43502, 137742}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{50396, 60710, 91891}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4671602, 4847102, 5876964}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{134750, 123682, 194243}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{100263, 90554, 1}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2640774, 2342984, 3132810}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{21395, 19971, 27453}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{401036, 457759, 69094}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{35186, 35413, 45409}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{34791, 33115, 85446}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{55187, 1, 40086}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 \
O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{252137, 1, 487333}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{66185, 51867, 40831}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{324143, 937020, 479610}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{510178, 444330, 575543}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{5534751, 5675280, 7913672}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{1, 1, 537597}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{51205, 39847, 303156}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{540133, 684903, 740590}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{46319, 47516, 43095}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{117779, 101088, 202694}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{1, 12236, 50256}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho\
lest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{1, 1, 640330}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{1, 1, 91161}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{36429, 43227, 93428}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{4009533, 4057163, 3108853}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{1, 1, 21580}, {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", 
      ""}}, {352.1709, 14.331971, "Meta"} -> {{48482, 44506, 95092}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{176238, 162443, 542934}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1, 1, 1100127}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{47892, 39751, 1}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{71621, 68771, 140502}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{1745064, 1190524, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{52030, 52048, 96399}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{1, 1, 25503}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{145993, 148883, 196564}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{1, 1, 25075}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{26672, 26976, 55892}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{1, 1, 21459}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{1, 1, 101094}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{1, 1, 18884}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{70311, 86896, 540344}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{1, 1, 18558}, {"Ubiquinone 8 [ C49 H74 \
O4, db=61.47, overall=63.06, mfg=64.65, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{1, 9063, 57357}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{39393, 47415, 398137}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{11364, 13201, 50770}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{1.18*^7, 1.35*^7, 3.71*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{1, 1, 61889}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{1, 1, 42066}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{31969, 40318, 103095}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{1, 1, 26251}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{64858, 61008, 122170}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{23972, 1, 37881}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{1568339, 1631985, 1971400}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{28270, 18776, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{31738, 28964, 118569}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{148067, 176729, 212379}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{448046, 354337, 553297}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1346151, 1398301, 1466571}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{118080, 135048, 111754}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1523938, 1542643, 1769385}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{172660, 31890, 349734}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{65844, 66211, 52242}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1856022, 1044034, 1333782}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{188516, 159999, 513418}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{611009, 378615, 1030938}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{271789, 246139, 963559}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{14642, 11470, 27465}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{33014, 43961, 1}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{451754, 320285, 4288794}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{156444, 140413, 63087}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{1, 1, 330032}, {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", 
      ""}}, {540.3808, 14.450665, "Meta"} -> {{1, 63772, 109069}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{43251, 50207, 366631}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{1, 1, 774410}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2001237, 1235561, 2364093}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1190438, 1681625, 1078452}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{1, 60312, 65722}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{772808, 730764, 3518552}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{60948, 66282, 42113}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{1, 26078, 102576}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{1, 38115, 23842}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{1, 1, 52556}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{147482, 141098, 471405}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{45807, 39087, 117674}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2052781, 1964572, 2299653}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{1, 1, 73988}, {"3beta,7beta-Dihydroxy-12\
-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, db=40.73, overall=40.55, \
mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, {617.2878, 14.457032, "Meta"} -> 
    {{40169, 46471, 23060}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{95902, 82818, 172360}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{72950, 1, 350243}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{368442, 237830, 426390}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{385631, 354116, 1}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{7727101, 5770436, 2126199}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{25262, 25355, 44375}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{226670, 149972, 656113}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{1, 1, 28776}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1296447, 1232248, 2170717}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{42579, 39454, 280272}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{63544, 57770, 128216}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{64118, 41231, 169397}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{1, 1, 34131}, {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", 
      ""}}, {422.3164, 14.500791, "Meta"} -> {{1, 1, 127494}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{1, 12524, 263862}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{2330954, 1948581, 1855300}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{779352, 618933, 1037326}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{565863, 539012, 651246}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{83444, 60703, 96383}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{136926, 130875, 173174}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{75320, 86262, 121220}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{101209, 79879, 54570}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{2205494, 1702218, 1102198}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{1, 33470, 30914}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{89001, 93274, 306025}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{142848, 1, 223137}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{889914, 850636, 1108405}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{427214, 444156, 544586}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{123072, 122452, 153478}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{1, 620818, 332393}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{14764, 21750, 225896}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{1, 1, 31745}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{1, 15820, 153810}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{1, 1, 129726}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{1, 16048, 53335}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1741636, 1847894, 2059925}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{438897, 455076, 444840}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{1, 1, 88511}, {"1-(11E-octadecenoyl)-rac-\
glycerol [ C21 H40 O4, db=93.99, overall=94.85, mfg=95.72, KEGG ID=, CAS ID= \
]", ""}}, {616.4681, 14.60106, "Meta"} -> {{1193723, 1552720, 909332}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{22387, 21268, 101611}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{19903, 18607, 93804}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{209293, 214131, 649919}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{42344, 30659, 32976}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{140632, 244380, 160110}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{193419, 189985, 96528}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{47824, 100397, 192807}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{194840, 210133, 1}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{41825, 1, 38987}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{60996, 1, 15009}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{33496, 31982, 30371}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{16224, 1, 59155}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{4.33*^7, 4.05*^7, 2.71*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{213219, 297171, 397096}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{64600, 67625, 49590}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{142981, 131425, 159935}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{92202, 99404, 1}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{12184, 13644, 27910}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{1, 1, 110291}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{1, 1, 26489}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{1, 1, 23774}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{86110, 78093, 136177}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{241835, 101711, 63932}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{139245, 129446, 98239}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{1, 1, 105298}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1459161, 1, 1}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{216299, 536942, 1158426}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{1, 1, 156784}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{877566, 830687, 787720}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{299678, 216004, 95677}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{44522, 52824, 629041}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1215018, 1214327, 1673799}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{47106, 47815, 71142}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{15854, 12961, 1}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{27956, 16646, 78393}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{25853, 30177, 258376}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{1, 1, 214134}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{393676, 386092, 331261}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{370923, 357083, 533970}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{1, 1, 33493}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{1, 1, 65130}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{1, 1, 23834}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{1, 1, 17527}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{26179, 32062, 413879}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{1, 1, 43142}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{66026, 54832, 81712}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{1, 1, 115390}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{31223, 1, 174161}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{23477, 22746, 134451}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{1, 1, 52622}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{112333, 90553, 56840}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{1, 1, 35606}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{1.6*^7, 1.66*^7, 3.29*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{105106, 71359, 133827}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{1, 1, 34692}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{1, 1, 115011}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{35851, 39173, 84818}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{454637, 429753, 499294}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{428431, 379462, 405729}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{49989, 46052, 44157}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{129371, 194781, 174571}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1031807, 957033, 1635939}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{71386, 74595, 116945}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{1054602, 737860, 889417}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{717510, 636710, 765047}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{177685, 162491, 87503}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{20606, 1, 117598}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{73215, 60826, 48618}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{142177, 163818, 994817}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{19677, 24643, 134361}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{1, 1, 105964}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{119457, 71647, 39538}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{112644, 150836, 232146}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{1, 1, 88914}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{251175, 277691, 613036}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{86777, 88344, 58144}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{69575, 74554, 119918}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3602934, 3283200, 3857695}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{677224, 667269, 1160084}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{1, 1, 54695}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{15197, 15440, 175224}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{31456, 37012, 205141}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{1, 1, 78002}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{81886, 80958, 411085}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{1, 13078, 134803}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{1, 1, 58443}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{204891, 191439, 389652}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{1, 1, 106666}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{1, 1, 85227}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{48932, 47577, 221810}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{91621, 87460, 153813}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{41590, 36468, 167758}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{11450, 20015, 346227}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{1, 66693, 1}, {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", 
      ""}}, {596.4432, 14.79043, "Meta"} -> {{153698, 155272, 259214}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{395422, 471972, 1084618}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{1, 1, 55743}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{752649, 683286, 1126520}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{1, 1, 130512}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{1, 29064, 731943}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{1, 1, 84549}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{35534, 46853, 43254}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{1, 1, 45143}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{100089, 156307, 214829}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{1, 1, 44854}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{1, 1, 214318}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{1, 14661, 22019}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{1, 1, 52337}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{1, 13543, 72858}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{373074, 511523, 2051498}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{1, 1, 25867}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{421317, 398738, 548120}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{26743, 29996, 114946}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{1, 1, 48151}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{31830, 34588, 35860}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{44147, 50470, 1}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{17949, 20095, 197715}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{1, 1, 86065}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{27799, 28149, 272829}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{1315932, 1292663, 492734}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{1, 1, 193014}, {"5,9,19-hexacosatrienoic \
acid [ C26 H46 O2, db=93.07, overall=94.01, mfg=94.96, Lipid ID=, KEGG ID= ]"\
, ""}}, {506.4338, 14.890211, "Meta"} -> {{178310, 165929, 268978}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{1, 1, 269083}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{568277, 700105, 2668304}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{1, 1, 38147}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{1, 1, 30371}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{86133, 165883, 1}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{147873, 178959, 225497}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{1, 29864, 273046}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2864987, 2522401, 3684468}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{53736, 75113, 75587}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{1, 1, 103204}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{1, 1, 19135}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, db=87.49, \
overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{184996, 160128, 82644}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{1, 1, 73881}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{14146, 1, 126902}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{1, 1, 92068}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{1, 16890, 237642}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{96629, 111515, 1290236}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{50784, 48441, 26891}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{1, 1, 28214}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{1, 1, 102300}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{151929, 216419, 925360}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{14737, 19896, 234903}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{35440, 59950, 106332}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{128805, 115786, 179017}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{1, 1, 33820}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{1, 1, 54712}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{113173, 127461, 1}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{1, 1, 61597}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1, 1, 402877}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{1, 1, 39921}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{178240, 1, 254071}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{1, 21475, 19014}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{1, 1, 73677}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{712398, 686673, 2454965}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{205085, 190569, 13018}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{4733829, 4807921, 1325974}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{596083, 539614, 46744}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{1, 1, 96223}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{32939, 43498, 204701}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{1, 1, 63069}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{949921, 803382, 645627}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{1, 1, 39721}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{30608, 42687, 293736}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{1, 1, 23279}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1, 1, 753313}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{1, 1, 67402}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{950923, 584871, 2277007}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{1, 1, 40583}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1, 1, 2926998}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{12532, 19449, 65027}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{30139, 40795, 331598}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{9166, 11119, 121224}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{58632, 87137, 823776}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{1, 1, 50957}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{1121797, 1348516, 1}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{59241, 63583, 236514}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{1, 1, 53454}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{1, 1, 110147}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{1, 1, 64194}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{51623, 106575, 495212}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{1, 1, 199539}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{28328, 37337, 280988}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{1, 34672, 35931}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{1, 1, 19417}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{1347055, 2005908, 3931274}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{22660, 1, 60639}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 58004, 1}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{1, 12705, 98790}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{18014, 20453, 58510}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", 
      ""}}, {608.4326, 15.080034, "Meta"} -> {{1, 1, 56990}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{1, 1, 54440}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{197244, 180196, 120928}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{234918, 33581, 954978}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{1, 1, 42668}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{1, 1, 29978}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{1, 1, 74720}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{60877, 1, 141901}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{1, 23300, 93162}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{1, 1, 41656}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{86085, 146269, 27699}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{18852, 25933, 164042}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{11257, 18291, 35847}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{1, 1, 300018}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{336281, 533398, 1575092}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{1, 1, 548048}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{44011, 88820, 47634}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{13961, 24022, 35715}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{198412, 253320, 1888028}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{1, 1, 56789}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{66717, 111362, 7117230}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{394963, 794018, 2083577}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{1, 1, 445707}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{1, 1, 66003}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{36951, 32338, 27650}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{46444, 62625, 225588}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{90267, 173109, 1.29*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{1, 1, 93460}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{1, 77744, 27351}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{1, 1, 34935}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{1, 1, 284158}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{98958, 120565, 32740}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{1, 1, 136387}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{1, 1, 73935}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{1, 1, 532514}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{52709, 58722, 35886}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{22812, 61095, 75661}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{1, 1, 36754}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{1, 1, 301075}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{1, 1, 110787}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{14780, 36178, 34119}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{1, 1, 133272}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{43240, 76554, 220535}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{1, 1, 111067}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{76407, 224944, 9792218}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{12739, 1, 306689}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{1, 1, 5322180}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, db=98.44, \
overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{1, 1, 55092}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{1, 1, 285697}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{1, 1, 20009}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{1, 1, 122062}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{50794, 91067, 22258}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{1, 1, 22301}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{1, 1, 99637}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{327112, 298358, 2788524}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{80010, 151256, 2906411}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{1, 1, 32943}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{1, 1, 495500}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{32435, 27562, 83773}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1, 1, 1176963}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{44963, 68750, 42392}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{255628, 432509, 1.26*^7}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{177977, 266010, 803223}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{1, 1, 135272}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{1, 1, 170705}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{86792, 116433, 246556}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{1, 1, 28788}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{49067, 73828, 21420}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{1, 1, 38158}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{36105, 37567, 268474}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{19843, 24001, 30674}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{1, 1, 29570}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{298029, 384875, 480142}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{52833, 122650, 1}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1092860, 1070980, 1268499}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{372767, 564767, 6752588}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{39844, 49839, 51652}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{66613, 78958, 629596}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{23446, 34054, 91665}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{81791, 129601, 1257480}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{41877, 64424, 182290}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{1979020, 2238777, 2348878}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{1, 1, 41541}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{499457, 616490, 5455217}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{133920, 129840, 1332498}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{17910, 26047, 192888}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{13991, 15301, 183194}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{151963, 135977, 67304}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{31020, 34965, 117265}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{1, 1, 18444}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{48694, 47897, 623335}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1, 1, 602594}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{1, 1, 34946}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{1, 1, 96106}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{283169, 205007, 365962}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{129966, 152465, 2176103}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{1, 1, 85427}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{45364, 89090, 1136250}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{23819, 36154, 38349}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{434548, 883617, 1032325}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{1, 1, 152510}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{147753, 146783, 181596}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{81717, 71417, 123425}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{1, 1, 26283}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{16492, 24709, 369632}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{87095, 79451, 91862}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{1, 1, 42023}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{55153, 79539, 93568}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{1, 1, 255284}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{104312, 107517, 1917365}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{1, 1, 66002}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1271641, 1443759, 1577889}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{1, 21281, 180131}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{369229, 438075, 7097190}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{1, 1, 23284}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{1, 1, 59031}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{86349, 118460, 139233}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{71360, 83841, 1205741}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{1, 1, 124846}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{1, 1, 42346}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{53378, 68576, 908129}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{727352, 452822, 1045604}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{1, 1, 27356}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{14400, 18887, 233983}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{1, 1, 119848}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{1, 1777453, 2372380}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{1, 16314, 256200}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{1, 1, 47975}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{1, 1, 109479}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{1, 1, 201055}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{309578, 296817, 490264}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{1, 183609, 141794}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{13489, 24574, 480751}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{10491, 14935, 293801}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{78557, 78673, 159325}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{37236, 42782, 93016}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{1, 1, 211611}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{1, 1, 117677}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{1, 1, 293543}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{58027, 1, 81114}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{361600, 511515, 1193508}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{81243, 99113, 99766}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{11809, 1, 113601}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{1, 1, 125966}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{112127, 138212, 29549}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{13863, 20350, 311124}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{1, 31792, 65982}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{1, 1, 67224}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{20900, 27238, 542352}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{1, 1, 69121}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{102441, 127279, 291967}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{82887, 67711, 119884}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{1, 1, 17797}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{1, 1, 89220}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{189202, 204464, 494758}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{1, 1, 46205}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{33630, 39615, 830602}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{13319, 21990, 339127}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{1, 1, 16241}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{1, 1, 92158}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{1, 1, 74855}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1, 35133, 610796}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{1, 1, 29944}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{1, 1, 17258}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{311689, 426657, 1215867}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{1, 50431, 183784}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{17163, 25365, 489703}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{486895, 539963, 1904944}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{57303, 64669, 229945}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{1, 1, 41155}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{1, 1, 137954}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{53530, 1, 185369}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{19604, 23677, 685129}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{1, 1, 46377}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{1, 15517, 267266}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{22245, 1, 509094}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{1, 37568, 215194}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{1, 171880, 1}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{49800, 43640, 325863}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{1, 57846, 276589}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{29938, 42278, 250831}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{1, 1, 21973}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{54568, 81399, 1058804}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{1, 1, 74925}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{1, 1, 46857}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{1, 1, 212391}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{1, 1, 147291}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{1, 1, 160501}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{1, 1, 113507}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{26516, 54246, 443130}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{1, 49798, 412641}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{1, 1, 97571}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{1, 1, 63849}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{1, 19072, 392784}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{1, 1, 27626}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1, 1, 860544}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{1, 1, 465317}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{1, 1, 60092}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{4105187, 48519, 1}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{1, 1, 46322}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{37028, 42630, 365903}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{1, 1, 122345}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{1, 1, 58427}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{1, 1, 403243}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{1, 1, 154847}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{1, 1, 37516}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{1, 1, 684686}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{24432, 25051, 20153}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{1, 28992, 23243}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{20825, 24569, 22119}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{22330, 21199, 21816}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{21299, 19716, 22291}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{15769, 16560, 15706}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{1, 19919, 20150}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{13607, 13415, 13431}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{194051, 184318, 181135}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{231831, 225086, 209118}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{194766, 215487, 153302}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{388730, 1, 1}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{42846, 41182, 42666}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{364128, 388301, 455308}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{58022, 1, 108634}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{68708, 62322, 63703}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{75896, 1, 1}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{47563, 33524, 28167}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{110003, 100151, 102446}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{113481, 112752, 115700}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{1.18*^7, 1.03*^7, 1}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{217433, 207062, 228886}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{86064, 91814, 83169}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{1, 1, 1}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{193479, 173539, 171138}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{61218, 1, 49213}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{29620, 1, 23959}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{29848, 31837, 36382}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{42005, 35072, 32876}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{31109, 27472, 28706}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{24800, 22050, 25311}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{27559, 13832, 25753}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{1, 99988, 102938}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{286774, 276065, 241350}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{41443, 45874, 37965}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 42496, 34241}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{75613, 39778, 40350}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{21230, 19621, 22743}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{17534, 17817, 14008}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{29027, 26187, 27266}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{27320, 30169, 29067}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{28768, 30786, 29987}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{26327, 28891, 25045}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{33592, 32991, 21679}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{50674, 51563, 17888}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{1, 1, 34763}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{30237, 31222, 24207}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{47980, 33269, 20503}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{44147, 38124, 45429}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{59095, 52831, 513766}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{33236, 1, 108619}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{1, 1, 112935}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{45358, 55710, 24120}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{127305, 1, 344451}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{80796, 1, 92844}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{69123, 75174, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{29520, 49305, 1}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{1, 37098, 27433}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{143568, 133978, 1}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{1, 62831, 51235}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{1, 121904, 68315}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{1, 1, 24996}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{11146, 13725, 23151}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{112946, 112205, 95301}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{202376, 172592, 1}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{120656, 120318, 59363}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{16290, 17036, 16348}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{87903, 93448, 60381}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{717753, 707590, 517315}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{58329, 102752, 108308}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{17861, 19798, 1}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{1, 1, 20839}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{20201, 24494, 138050}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{86145, 73194, 1}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{140621, 162652, 738297}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{136625, 1, 60298}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{205084, 163520, 1}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1, 1547251, 1292240}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{80297, 74782, 146374}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{107134, 85840, 178333}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{72464, 56103, 193797}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{82045, 1, 115222}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{78970, 28380, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{14059, 42195, 33528}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{1, 21540, 614358}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 1, 36502}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{135845, 184816, 113722}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{97906, 128302, 76172}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{139216, 195881, 27566}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{266897, 281335, 277289}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{1, 22892, 45234}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{140843, 164789, 121844}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{662406, 666699, 676942}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{64338, 52017, 47029}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{82976, 1, 89505}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{1, 35813, 39948}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{956420, 873449, 885847}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{500876, 383002, 222909}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{1, 61664, 1}, {"9-hydroxy-5Z-nonenoic \
acid [ C9 H16 O3, db=65.72, overall=66.15, mfg=66.58, Lipid ID=, KEGG ID= ]", 
      ""}}, {1151.0627, 9.671202, "Meta"} -> {{67207, 63720, 60194}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{41331, 38640, 1}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{26041, 28889, 27743}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{156396, 177919, 81486}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{180576, 163398, 73700}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{25496, 1, 35669}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{55282, 1, 1}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{377005, 357478, 180040}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{43035, 47288, 1}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{41532, 1, 11729}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{30906, 1, 1}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{57867, 69893, 90758}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{80728, 55337, 1}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{68898, 67248, 112826}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{235708, 94367, 52518}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{91506, 100811, 175336}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{573297, 550757, 429124}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{66312, 68772, 36344}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 14306, 33942}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{1, 16432, 1}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{173814, 94444, 33625}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{124333, 121309, 1}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "11" -> <|{457.0024, 0.34764, "Meta"} -> {{20718, 14074, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{27616, 27929, 25663}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{13846, 16171, 14366}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{12300, 13913, 12009}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{21341, 21288, 17425}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{70512, 72429, 66003}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{43062, 43619, 41703}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{35845, 1, 36471}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{13782, 1, 12353}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{10435, 10266, 9521}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{19285, 17524, 15782}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{14851, 11789, 10460}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{17001, 16366, 15987}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{19693, 17957, 16133}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{9040, 1, 1}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{20712, 17190, 18341}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{37884, 40668, 35187}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{58144, 53149, 59211}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{17941, 17298, 14178}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{80755, 69950, 73377}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{70054, 60295, 68014}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{63918, 55033, 52287}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{86705, 77582, 79415}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{50399, 43367, 48097}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{517879, 629820, 697847}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{17285, 17878, 15732}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{116296, 108676, 104876}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{62661, 55443, 55258}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{162842, 141332, 142423}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{84215, 76795, 75964}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{21442, 1, 16993}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{328154, 292926, 280912}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{26046, 1, 21276}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{218307, 205468, 200966}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{1, 1, 34782}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{1, 376964, 371462}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{40260, 1, 30974}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{844453, 782472, 784000}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{525784, 470209, 477432}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{959513, 845788, 858970}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{26271, 26373, 25724}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1444489, 1397974, 1395971}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1710916, 1587571, 1543072}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1200627, 1092914, 1098328}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1349993, 1255989, 1244971}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{19949, 21957, 19793}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{731331, 682079, 671146}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{69680, 64559, 64538}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3484003, 3139315, 3281162}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{46210, 43202, 42135}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{77041, 70799, 73252}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{54790, 56321, 1}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{24526, 21035, 18345}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{75164, 73788, 66946}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{39801, 34299, 34978}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{76799, 73423, 67398}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{56340, 54143, 53482}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{19379, 12870, 18738}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{17151, 15230, 15812}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{16668, 14773, 19870}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{15146, 15115, 15282}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{206150, 202191, 179837}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{684291, 680762, 665781}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{167585, 169967, 156930}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{146849, 147356, 136770}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{136475, 134226, 1}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{30696, 1, 1}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{61535, 1, 60989}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{1, 107371, 1}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{369878, 317339, 350641}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{98738, 89928, 86612}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{1, 355968, 336436}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{122989, 1, 114245}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{113713, 1, 109656}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{205212, 195527, 186092}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{38938, 32546, 28105}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{1, 30543, 1}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{90545, 88587, 84179}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{1, 72420, 74425}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{145799, 125528, 129951}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{98596, 99880, 1}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1571188, 1563549, 1507459}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{136534, 134166, 125529}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{54020, 50958, 52184}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{145952, 141645, 163639}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{8618725, 8370383, 8286710}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{105967, 93156, 107268}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{213438, 194164, 187953}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{1, 31078, 34790}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{61673, 56263, 55064}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{62019, 137315, 55950}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{198067, 212306, 213468}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{162271, 233028, 197134}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{529980, 558510, 499030}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{49362, 67438, 66209}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{119257, 155043, 186098}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{318135, 56442, 70641}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{1109155, 1205750, 1249419}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{296623, 261832, 386382}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2298095, 1947870, 1774523}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{47397, 40716, 45174}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{208788, 212843, 186481}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{254329, 323219, 252912}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{552738, 497020, 487514}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{160411, 122437, 128901}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{34731, 41843, 35099}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{70631, 70893, 43170}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{90138, 85794, 79506}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{1, 1, 12863}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{323596, 297635, 247293}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{34669, 1, 16884}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{130742, 460384, 1}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{40107, 29643, 36774}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{6555869, 6595865, 4402904}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{53615, 1, 70017}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{110856, 129091, 124824}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{369880, 443345, 146542}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{74329, 88514, 98185}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{22310, 27990, 1}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{190043, 180376, 179284}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{193630, 1, 219477}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{34406, 27965, 31572}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2655599, 2392085, 2145472}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{80589, 62592, 66782}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{124836, 1, 1}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{515410, 529738, 507210}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{36652, 36287, 42417}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{1, 1, 116951}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{106856, 111414, 87171}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{108415, 118455, 128200}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{34588, 31721, 33787}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{16386, 17320, 16225}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{8553, 1, 76965}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{9521677, 9345528, 8481156}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 20405, 1}, {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", 
      ""}}, {184.0236, 0.6534444, "Meta"} -> {{430903, 449660, 540314}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{457391, 434095, 395066}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{28751, 29555, 24065}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{75248, 66474, 52015}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{18484, 21362, 18708}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{592297, 562202, 502644}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{47190, 43756, 90284}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{16339, 19126, 19152}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{12717, 12609, 11139}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{15196, 15587, 16820}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{14612, 16658, 17193}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{10765, 9880, 1}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{45289, 42850, 40097}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{23044, 16978, 18584}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{1, 1, 1}, {"4-trans-Hydroxyglipizide [ \
C21 H27 N5 O5 S, db=56.64, overall=56.62, mfg=56.59, KEGG ID=, CAS \
ID=38207-36-2 ]", "38207-36-2"}}, {412.0983, 0.6803333, "Meta"} -> 
    {{24324, 22329, 21015}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{154607, 148152, 168476}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{1, 1, 1}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{45366, 50925, 63801}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{52478, 1, 1}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{229927, 230247, 226095}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{108443, 118138, 115686}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{125229, 124087, 121876}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{91537, 97613, 92030}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{420210, 389162, 386350}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{65319, 57937, 40962}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{125169, 134683, 121639}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{26567, 30682, 31961}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{230251, 1, 312208}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{37830, 55777, 61438}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{295654, 277845, 289903}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{198635, 208225, 201894}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{4269662, 4097863, 4200606}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{1, 97328, 86046}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{65381, 54972, 55982}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{43525, 1, 45159}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2164568, 2012935, 1905684}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{136379, 1, 117933}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{30138, 1, 1}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{24276, 25332, 26129}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{7893915, 7826445, 7116898}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{77949, 1, 77559}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{527524, 523858, 1}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{2053011, 2080163, 2009658}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{111285, 96600, 102236}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{133010, 120293, 121662}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{341945, 328582, 334630}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{8457317, 7757262, 7750375}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{189927, 229794, 232596}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 \
O4, db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{107397, 1, 83195}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{35896, 29284, 14469}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{3696577, 3366822, 2966634}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{235240, 209957, 212855}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{123366, 1, 122545}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{1, 67431, 1}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{78239, 81412, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{1, 1, 1}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{64899, 35199, 63079}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{8611862, 8629922, 8367046}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{375503, 352985, 343881}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1, 759462, 729347}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{94330, 99294, 89474}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{59235, 64890, 1}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{42536, 48218, 41197}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{40610, 49923, 1}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{755325, 754596, 727202}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{375533, 308194, 162821}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{496041, 478493, 475927}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{301153, 304078, 285793}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{1, 1, 1}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, overall=81.82, \
mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{56169, 53058, 50760}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{101974, 99728, 95822}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{31304, 31127, 32573}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{55580, 56098, 1}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 1, 52620}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{277784, 241116, 198383}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{51329, 1, 33084}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{41409, 34062, 28484}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{123680, 120457, 114533}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{32574, 29118, 31331}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{35674, 34714, 37267}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{2526260, 2559996, 2466159}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{63750, 68900, 65314}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{225857, 232305, 230378}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{55380, 57904, 53912}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{50978, 46184, 49204}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{39479, 44871, 47176}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{52330, 57107, 61697}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{46962, 41849, 44597}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{34841, 33947, 33946}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{179334, 162819, 164466}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{114002, 110014, 102396}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{58535, 64608, 57723}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{348120, 329474, 308212}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{600231, 606317, 574915}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{113779, 112627, 114063}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{142117, 150769, 131064}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{77411, 79264, 76375}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{50952, 56739, 52804}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{280186, 300907, 275847}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{136333, 136932, 128787}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{24550, 1, 1}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{50993, 51900, 42597}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{682983, 655779, 582259}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{55321, 52122, 52695}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{1259956, 1235941, 1145440}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{36486, 37581, 34802}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{279439, 287489, 233733}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{40437, 38072, 1}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{254928, 313892, 973683}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{40525, 29419, 36301}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{171246, 191967, 1}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{191476, 38012, 1266197}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{86810, 95541, 1}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{72469, 74529, 171758}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.28*^7, 1.41*^7, 3.38*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{35798, 36166, 44253}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{1, 92084, 1}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{34477, 36416, 66060}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{755719, 739693, 694512}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{27216, 1, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{19719, 20622, 1}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{1, 24588, 1}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{19986, 19857, 19766}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{25146, 1, 25151}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{58110, 62656, 52930}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{79584, 74393, 64154}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{32342, 30126, 30431}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{241595, 243712, 236275}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{41106, 47581, 41606}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{429409, 439476, 391466}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{257514, 247891, 242411}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{95303, 129018, 86526}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{41641, 45319, 67230}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{70048, 63904, 52714}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{292802, 258050, 260850}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{26104, 21860, 22050}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{19435, 18819, 18966}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{120738, 125237, 127874}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{615936, 639430, 613061}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{323016, 312980, 299402}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{26388, 24746, 20823}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{16758, 17580, 1}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{57159, 59715, 53899}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{27443, 27629, 1}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{722744, 706483, 653049}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{36422, 34003, 34294}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{64061, 73133, 68351}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{207776, 209090, 206764}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{199629, 198954, 191037}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{1, 1, 1}, {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{59851, 59748, 52751}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{486322, 337667, 316488}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{1, 173367, 1}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{78118, 70183, 69131}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{128267, 133877, 105066}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{5635181, 5649487, 5061288}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{76990, 98409, 103505}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{335698, 328854, 308861}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{2496614, 2574831, 2313229}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{765991, 875538, 713410}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{218707, 239555, 239674}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{46219, 46525, 47455}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{46640, 42150, 1}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{43485, 45484, 46752}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{63386, 56603, 57064}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{809269, 697718, 664499}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{114441, 92934, 85097}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{942322, 737827, 693930}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{74442, 59948, 57546}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{43955, 46765, 43774}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{138280, 152760, 150595}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{1, 34390, 1}, {"9-oxo-2E-decenoic acid [ \
C10 H16 O3, db=83.75, overall=83.78, mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {616.1101, 8.944445, "Meta"} -> {{291163, 220427, 183773}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{81885, 62545, 57412}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{80595, 81727, 76500}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{81816, 71822, 77039}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{1, 18962, 1}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{70607, 74959, 59302}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{1, 22227, 21231}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{243488, 245296, 219106}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{24758, 30171, 1}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{122614, 133132, 117327}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{78460, 69700, 70269}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{21842, 22669, 22884}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{28271, 28109, 26534}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{46250, 50917, 43049}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{22010, 23343, 21855}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{36293, 37349, 41674}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{14199, 12809, 14782}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{196751, 203590, 191295}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{55378, 63431, 43687}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{27746, 30062, 26175}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{379347, 366263, 350696}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{59662, 53133, 51940}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{147199, 147926, 138848}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{35270, 42213, 36180}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{83359, 81418, 76652}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{1, 1, 8345}, {"9-oxo-2E-decenoic acid [ \
C10 H16 O3, db=81.85, overall=81.89, mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {480.2357, 9.669027, "Meta"} -> {{21439, 22367, 19307}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{168793, 173891, 161780}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{1, 30550, 22295}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1166366, 1195681, 1101593}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{52938, 47946, 49180}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{53347, 62749, 62386}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{24898, 30028, 29133}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{649631, 644835, 613737}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{35361, 35723, 36710}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{42587, 41819, 42938}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{304987, 308955, 280646}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{68598, 68831, 61415}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{318334, 317614, 299389}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{21815, 23994, 23511}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{38989, 49335, 42437}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{65486, 59551, 59890}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{131899, 131380, 121080}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{1, 54151, 1}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{172980, 197050, 162109}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{93502, 95873, 95029}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{33380, 31812, 34521}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{379284, 378091, 355719}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{34936, 35334, 33368}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{29325, 34527, 30413}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{14947, 1, 1}, 
     {"17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-gl\
ucuronide [ C27 H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS \
ID= ]", ""}}, {186.1256, 9.981147, "Meta"} -> {{1120719, 1149165, 993429}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{60458, 62236, 60356}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{41044, 49240, 41111}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{1, 107171, 1}, {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", 
      ""}}, {228.136, 10.039296, "Meta"} -> {{43044, 1, 43845}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{46918, 48209, 43841}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{4777659, 4772794, 4545577}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{11998, 14576, 12519}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{175842, 189571, 183682}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{35590, 38790, 34536}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{80013, 80070, 77235}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{184089, 187321, 184424}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{22256, 1, 22386}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{16396, 18915, 18446}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{17538, 14578, 13285}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{14662, 15355, 12026}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{50517, 57540, 58398}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{32780, 40452, 38293}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{24980, 24142, 21128}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{44303, 48914, 43090}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{616184, 658191, 624307}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{42593, 43819, 47719}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{108728, 123845, 117261}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{45878, 45830, 43272}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{25310, 23153, 1}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{70453, 60540, 59625}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{308681, 301612, 301507}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{1, 1, 1}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{79714, 86986, 73752}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{51326, 51992, 52649}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{371883, 392831, 365777}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{20380, 19800, 1}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{79273, 79596, 82855}, {"Quassin [ C22 H28 O6, db=63.29, overall=64.42, \
mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{1, 28730, 50299}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{291284, 302474, 333592}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{52798, 52686, 64775}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{216937, 215461, 237185}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{42875, 44508, 37158}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{48391, 49629, 49097}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{29205, 1, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{22360, 21536, 20324}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{30354, 33213, 30602}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{136587, 122684, 140247}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{46576, 53119, 37255}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{17478, 18683, 18058}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{134567, 136816, 118310}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{31965, 31314, 28504}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{48257, 42106, 39704}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{246965, 230777, 225902}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{1, 15638, 15853}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{30586, 30103, 27757}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{286673, 295451, 290931}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{30201, 38371, 31078}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{44148, 46348, 51494}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{18966, 21217, 25330}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{96477, 96716, 100589}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{42692, 43308, 36658}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{1, 41712, 50031}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{88252, 80920, 81503}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{37669, 48157, 36681}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{32842, 30990, 27839}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{952966, 966009, 923562}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{77324, 95664, 92586}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{97397, 110418, 101742}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{126493, 155418, 132461}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{20702, 1, 17722}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{55784, 52948, 55024}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{855314, 863293, 868205}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{78781, 85905, 100849}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{40416, 35916, 71297}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{360199, 370791, 358588}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{21236, 22697, 24412}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{56801, 68574, 1}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{128762, 129982, 118347}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{22270, 1, 27901}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{1, 29963, 27810}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{391596, 402692, 389611}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{394718, 436513, 328861}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{24915, 19037, 13323}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{24652, 33354, 20265}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{44933, 44146, 22515}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{138377, 169263, 166793}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{79118, 82327, 74688}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{937741, 999474, 938513}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{431267, 415234, 395639}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{1, 1, 15279}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{133357, 114415, 113805}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{63835, 68929, 54381}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{31081, 29696, 27537}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{1, 120649, 116343}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{24367, 18538, 18231}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{28041, 39940, 27395}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{83821, 82736, 78873}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{23966, 26651, 22202}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{29020, 27957, 31537}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{42107, 46294, 42902}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{1, 25232, 24001}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{1, 40056, 45336}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{258262, 265288, 261415}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{1, 1, 1}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=61.13, \
overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{122266, 129710, 115710}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{457332, 493584, 466945}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{1, 25409, 23930}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{19063, 20304, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{133285, 127726, 139718}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{19767, 21602, 19991}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{15072, 13873, 9933}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{62905, 66731, 60256}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{57066, 55811, 52929}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{218076, 211126, 209697}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{33014, 35442, 31134}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{30821, 39022, 33813}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{11672, 1, 1}, {"16a-Hydroxydydrogesteron\
e glucoronide [ C27 H36 O9, db=68.68, overall=69.46, mfg=70.25, KEGG ID=, CAS \
ID= ]", ""}}, {450.181, 11.291778, "Meta"} -> {{35215, 27452, 30246}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1638348, 1379093, 1585464}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{16475, 14781, 17301}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{60153, 60594, 59282}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{17802, 17799, 16908}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{430305, 458149, 444157}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{45324, 51938, 46526}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{84410, 84677, 79386}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{51970, 45331, 40091}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{52478, 48592, 1}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{290114, 306741, 341776}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{44060, 38940, 46626}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{40221, 59315, 38363}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{1, 1, 38402}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{17047, 18846, 15289}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{99486, 110968, 103345}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{101582, 102292, 108848}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{3798725, 3993666, 3778974}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{55050, 49110, 54292}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{29385, 30285, 26193}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{9234, 10612, 1}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{36474, 31300, 31235}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{80872, 79276, 78566}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{319883, 327388, 312735}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{39627, 41529, 40510}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{50390, 53190, 57011}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{37325, 31053, 40084}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{36868, 38505, 29615}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{166084, 171185, 174023}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{29764, 29603, 27671}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{61325, 69662, 62710}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{160081, 162180, 157418}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{143992, 141806, 127197}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{57689, 60518, 60617}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{83171, 69545, 67868}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{32870, 35841, 33335}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{639042, 627608, 564895}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{16830, 1, 1}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{47609, 52582, 48795}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{21617, 18739, 20867}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{126974, 107184, 104583}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{973066, 789902, 741301}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{47157, 41911, 50837}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{119102, 109936, 104773}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{149066, 141934, 155260}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{49550, 40936, 32006}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{22638, 21169, 21332}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{249428, 248363, 227277}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{1, 24520, 21415}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{72997, 64991, 58479}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{14313, 16234, 12399}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{162542, 164782, 164839}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{76336, 88620, 80071}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{60079, 50936, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{96100, 87941, 88119}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{46937, 54306, 50005}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1369981, 1394296, 1279796}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{18588, 21522, 20628}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{16076, 1, 14908}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{86201, 102444, 87246}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{126099, 144458, 124714}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{1, 47495, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{138799, 136113, 134807}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{206508, 214693, 190298}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{36837, 49763, 29506}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{54377, 55051, 54090}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1244014, 1264573, 1260935}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{85345, 84718, 81253}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{112428, 113311, 112829}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{1718724, 1702582, 1607114}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{131644, 131501, 146852}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{23354, 1, 1}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{254253, 246482, 241361}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{52371, 39767, 43001}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{84818, 86753, 78933}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{1, 24426, 1}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{33478, 33503, 28561}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{436475, 442233, 448840}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{117002, 1, 1}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=97.74, \
overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{31692, 44516, 28825}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{179416, 167899, 160293}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{29813, 31287, 28776}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{72982, 72279, 61364}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{125956, 118200, 124964}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{60115, 62251, 60765}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{14550, 15521, 1}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{1, 1, 31702}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{377355, 453509, 435803}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{68930, 1, 83439}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{1, 1, 32463}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{164172, 156996, 134299}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{23988, 21333, 21641}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{64062, 57303, 53284}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{135321, 149511, 125543}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{56652, 36901, 42623}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{261919, 261874, 230695}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{14660, 18401, 17901}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{48356, 40228, 39797}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{375068, 358291, 342592}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{68988, 73216, 66839}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{27877, 25700, 24138}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{64762, 40734, 58637}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{288066, 260979, 281955}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{34485, 31879, 24734}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]"\
, ""}}, {414.2078, 12.023414, "Meta"} -> {{137440, 140385, 132207}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{1, 18351, 19048}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{77767, 68524, 74096}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{109661, 111603, 94772}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{1, 16409, 14767}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{298994, 293591, 294822}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{1, 2.44*^7, 2.29*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{300398, 306874, 283887}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{625774, 652229, 637146}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{61752, 60877, 63350}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{117133, 120458, 108183}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{32834, 31904, 27379}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{30066, 34914, 35067}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 18388, 17899}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{1, 17440, 18862}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{105149, 90038, 94240}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{43488, 42538, 46160}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{1, 1, 1}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{28421, 28154, 31716}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{34851, 26508, 32418}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{1, 1, 1}, {"3alpha-androstanediol \
glucuronide [ C25 H40 O8, db=80.99, overall=81.06, mfg=81.14, Lipid \
ID=LMST05010004, KEGG ID= ]", ""}}, {372.197, 12.089192, "Meta"} -> 
    {{208071, 222977, 202459}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, \
db=67.20, overall=68.33, mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{31418, 44168, 49597}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{24875, 23511, 29292}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{1, 24273, 19742}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{57724, 60566, 51709}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{41636, 45462, 44002}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{28786, 25926, 25639}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{459805, 497865, 446954}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{17175, 15934, 16052}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{49001, 53089, 50537}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{143444, 196982, 152442}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{268496, 251554, 259017}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{334751, 323650, 317545}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{453568, 453825, 427305}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{31271, 34215, 1}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{130997, 132698, 126392}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{1, 1, 1}, {"Cholic acid glucuronide [ C30 \
H48 O11, db=80.82, overall=82.02, mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", 
      ""}}, {434.2883, 12.167889, "Meta"} -> {{51785, 55211, 51587}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{114759, 120241, 110038}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{2430441, 2263530, 2154536}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{267861, 279795, 265513}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{35358, 39685, 41488}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{116254, 99393, 116828}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{93119, 97835, 85027}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{90472, 84925, 74308}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{1, 1, 1}, {"GS 1500 [ C31 H44 O3 S, \
db=51.08, overall=50.78, mfg=50.47, Lipid ID=LMST03020614, KEGG ID= ]", ""}}, 
   {1335.2083, 12.219137, "Meta"} -> {{32456, 33881, 32566}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{120724, 120983, 120227}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{27170, 30468, 26249}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2711966, 2679930, 2533926}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{27990, 24682, 24134}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{43127, 58794, 50486}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{24073, 23134, 1}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{184791, 192571, 171189}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{278190, 297858, 269258}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{536341, 536710, 519634}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{20516, 18706, 17787}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{48569, 47298, 50025}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{130479, 140551, 130207}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{98915, 94337, 89090}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{164841, 159797, 152696}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{193540, 193073, 199663}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{75778, 77334, 62420}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{71017, 64313, 67473}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{31690, 29707, 30254}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{14313, 14715, 1}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{282494, 285695, 268907}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{51303, 51150, 47708}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{1, 78060, 66773}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{1, 23043, 28011}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{35751, 1, 1}, {"Granisetron metabolite 1 \
[ C18 H24 N4 O3, db=73.00, overall=73.36, mfg=73.73, KEGG ID=, CAS ID= ]", 
      ""}}, {357.2701, 12.286234, "Meta"} -> {{24494, 21159, 20836}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{49058, 50182, 46479}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{165381, 185163, 174532}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{99168, 81866, 88116}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{84149, 51011, 78904}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{23159, 1, 1}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{72649, 66438, 56422}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{123321, 127657, 126972}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{263102, 255582, 244746}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{1023916, 982132, 992129}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{107889, 105193, 108729}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{1, 60460, 43525}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{59754, 43365, 49970}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{34150, 45727, 36542}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{299961, 332593, 290293}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{18830, 184297, 23864}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{1, 13931, 1}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{360637, 368107, 341832}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{33350, 32557, 26704}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{97866, 101479, 96118}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{63421, 69273, 63248}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{92196, 96137, 96370}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{63582, 60861, 51040}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{6711104, 6705401, 6308906}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{219484, 1, 225148}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{35224, 34124, 30720}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{138491, 150225, 144357}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{43126, 44489, 36587}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{154903, 160207, 121388}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{160326, 176593, 160576}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{8081396, 8012082, 7594805}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{44664, 45641, 50552}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{111670, 109013, 97560}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{155465, 1, 171153}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{105574, 103762, 84346}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{62758, 63702, 60562}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{41553, 46262, 47816}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{245062, 255203, 248436}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{36949, 31193, 22146}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", 
      ""}}, {270.2192, 12.44093, "Meta"} -> {{49999, 60141, 64953}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{271735, 262830, 255059}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{14513, 1, 1}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{1, 1, 1}, {"Falcarindiol [ C17 H24 O2, \
db=77.67, overall=77.65, mfg=77.63, Lipid ID=LMFA05000005, KEGG ID= ]", ""}}, 
   {292.1677, 12.448104, "Meta"} -> {{1, 22736, 1}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{309396, 309452, 278495}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{47173, 37071, 37234}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{35630, 31841, 28211}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{95347, 99603, 94633}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{60425, 54646, 59244}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{75179, 47168, 95738}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{191121, 195577, 168323}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{1275349, 1267860, 1187460}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{14127, 20610, 19559}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{110275, 122878, 1}, {"8E-Heptadecenedioic acid [ C17 H30 O4, db=63.35, \
overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{162033, 123165, 130011}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{102902, 1, 89804}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{87669, 88207, 87968}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{6084623, 5923346, 5627217}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{50696, 51299, 44403}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{87187, 84876, 75148}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{39577, 45112, 40479}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{219256, 213362, 210417}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{19327, 1, 19369}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{55768, 47218, 43120}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{30657, 29228, 31135}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{19101, 20336, 17963}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{43227, 41989, 41282}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{394401, 387066, 351997}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{93577, 81575, 85735}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{203226, 192364, 200717}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{80407, 83027, 79952}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{1, 1, 12801}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{502857, 512184, 450770}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{76328, 70128, 75718}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{37665, 34938, 1}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{163010, 176779, 143123}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{41079, 38984, 37008}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{203533, 206811, 204074}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{667052, 491951, 653218}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1, 33271, 1}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{113024, 113509, 113777}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{41014, 40741, 37275}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{1, 1, 1}, {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", 
      ""}}, {298.2144, 12.612264, "Meta"} -> {{63670, 57610, 63707}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{13467, 1, 1}, {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", 
      ""}}, {370.1814, 12.601705, "Meta"} -> {{1, 289549, 1}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{20672, 234657, 234937}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{1, 1, 1}, {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", 
      ""}}, {302.1919, 12.647075, "Meta"} -> {{12846, 13394, 1}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{264764, 259962, 261126}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{51415, 46956, 49556}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{158059, 156245, 150729}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{20055, 20351, 21618}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{1, 31348, 20724}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{265720, 255069, 242293}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{326981, 371351, 279861}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{563585, 479334, 441343}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{337744, 344840, 435427}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{147014, 178962, 167024}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{112222, 108805, 96608}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{240364, 262393, 256780}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{66359, 56308, 60364}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{174359, 187327, 94005}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{12656, 24445, 23590}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{52814, 43688, 46281}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{23230, 21737, 20259}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{112853, 133133, 103770}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{597640, 594602, 548897}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{25053, 29354, 20039}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{324946, 320500, 285347}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{29699, 1, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{1, 28528, 1}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{115748, 120704, 114212}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{29216, 65592, 23482}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{319904, 318135, 311336}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{40890, 37002, 35615}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{1, 1, 1}, {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", 
      ""}}, {472.1768, 12.765059, "Meta"} -> {{104067, 94008, 92092}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{33724, 19626, 36046}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{208934, 177131, 209292}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{43266, 35460, 39205}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{498986, 492487, 479448}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{29232, 34146, 32402}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{81420, 85431, 88081}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{936087, 983200, 1045061}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{142020, 148196, 148711}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{41701, 37082, 42073}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{56409, 56394, 51860}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{347194, 344537, 332314}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{59542, 64182, 68302}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{27875, 87062, 31319}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{83147, 84524, 74589}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{84095, 70778, 99632}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{217822, 207068, 198586}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{1, 17248, 1}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{20458, 16301, 1}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{202948, 190753, 198717}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{1.97*^7, 1.96*^7, 1.81*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{166038, 164279, 145543}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{680464, 665538, 678562}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{83917, 86058, 76487}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{230664, 229498, 223409}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{40622, 39754, 29456}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{47875, 47763, 45242}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{43095, 43933, 45224}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{62358, 67608, 64269}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{87152, 60282, 72691}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{1, 24415, 31815}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{72910, 58240, 73131}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{75982, 94926, 1}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{1, 1, 11058}, {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", 
      ""}}, {486.2824, 12.8755665, "Meta"} -> {{1, 16223, 1}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{34181, 77858, 36772}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{192076, 189831, 158921}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{1, 21342, 25125}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{58613, 50008, 64399}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{1, 1, 1}, {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{1, 15862, 1}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{35143, 35843, 34903}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{845683, 861842, 814514}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> 
    {{1, 1, 1}, {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", 
      ""}}, {270.2195, 12.9046335, "Meta"} -> {{65189, 59365, 77638}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{64290, 68364, 26495}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{1, 23860, 1}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{308489, 322532, 303897}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{283042, 266799, 261792}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{1, 1, 1}, {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", 
      ""}}, {320.2353, 12.908808, "Meta"} -> {{792151, 794251, 785254}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{64688, 65398, 59791}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{84845, 83814, 70395}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{91729, 168826, 1}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{1, 28717, 1}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{1, 301357, 106138}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{91442, 97308, 88472}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{850605, 836858, 795214}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{1090445, 1087220, 1034286}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{74749, 69116, 73454}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{60029, 56239, 54891}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{24374, 53621, 22719}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{1, 1, 1}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{72618, 69746, 64131}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{1, 23854, 1}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{66047, 69024, 63418}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{1, 1, 1}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1, 121196, 46380}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{35819, 88960, 36582}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{1, 108895, 1}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{1, 1, 1}, {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", 
      ""}}, {935.6241, 12.96082, "Meta"} -> {{17420, 40693, 14115}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{166695, 155998, 166200}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{346807, 347182, 286162}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{26391, 62632, 27876}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{2886888, 2716506, 2668055}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{50090, 64880, 64947}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{14017, 22072, 14753}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{41828, 42835, 39869}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{495993, 528634, 481935}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{81488, 71580, 67682}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{39704, 1, 36115}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{122359, 82512, 148136}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{25758, 24696, 25196}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{1, 22607, 1}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{183281, 368421, 172751}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{44526, 47781, 37650}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{151436, 281142, 177779}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{37574, 177608, 31771}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{1, 23930, 1}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{29021, 52713, 25016}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{55436, 42508, 35565}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1100819, 2254511, 861212}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 36865, 1}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{332977, 305275, 300353}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{44185, 47050, 40332}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{44824, 1, 1}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{1, 21351, 1}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{92712, 99578, 63914}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{20191, 103467, 1}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{53665, 64787, 57795}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{350609, 646635, 287183}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{1, 1, 1}, {"GPEtn(16:0/0:0) [ C21 H44 N \
O7 P, db=98.59, overall=49.30, Lipid ID=LMGP02050002, KEGG ID= ]", ""}}, 
   {917.5442, 13.064721, "Meta"} -> {{30603, 67916, 30293}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{1, 17336, 1}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{50029, 46605, 48530}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{1, 1, 1}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{3770783, 3463089, 3431142}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{28685, 66475, 24546}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{372065, 373720, 339716}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{1110310, 1102577, 1069278}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{673874, 690842, 631009}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{1, 1, 1}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{146117, 159639, 134955}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{48405, 49958, 46982}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{179768, 1, 136926}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{1, 58054, 1}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{96906, 85841, 92266}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{1, 1, 1}, {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", 
      ""}}, {1074.6853, 13.118668, "Meta"} -> {{1, 28238, 1}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{41687, 41472, 35609}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{273710, 252688, 253873}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{343861, 281469, 343439}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 1, 42432}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{54461, 60542, 48239}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{190018, 166886, 155084}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{358239, 327352, 332286}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{525389, 491543, 477008}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{1, 119622, 126552}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{34984, 30895, 25021}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{56790, 63784, 57793}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{1, 44184, 45330}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{92288, 176816, 73886}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{17466, 46976, 1}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{1, 1, 1}, {"1,2-di-(9Z,12Z,15Z-octadeca\
trienoyl)-sn-glycerol [ C39 H64 O5, db=85.45, overall=85.76, mfg=86.08, KEGG \
ID=, CAS ID= ]", ""}}, {565.3734, 13.1695595, "Meta"} -> 
    {{37460, 34306, 1}, {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", 
      ""}}, {1148.6993, 13.162751, "Meta"} -> 
    {{1, 1, 1}, {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 \
]", ""}}, {338.2234, 13.160125, "Meta"} -> 
    {{1, 1, 1}, {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", 
      ""}}, {492.2932, 13.160081, "Meta"} -> 
    {{1, 1, 1}, {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", 
      ""}}, {416.2574, 13.161083, "Meta"} -> 
    {{1, 1, 1}, {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, \
overall=73.51, mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{19196, 42207, 1}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{75344, 59569, 66144}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{382028, 339990, 350219}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{1, 19406, 1}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{19237, 21523, 19538}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{93606, 89305, 86065}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{100425, 104514, 156721}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{20086, 20975, 35161}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{1, 76613, 1}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{106027, 225924, 86033}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{1, 35670, 1}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1, 97385, 1}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{1, 46461, 1}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{76658, 545174, 43988}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{1, 46276, 1}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1436561, 4078783, 1100115}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{20638, 16890, 18296}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{415354, 438543, 363756}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{1, 1, 550715}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{1, 1, 1}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{240741, 252587, 250808}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{76334, 106051, 64980}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{31268, 86273, 32688}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{37903, 83800, 27421}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{25047, 20580, 25981}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{76318, 63703, 74484}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{42470, 35790, 39370}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{1, 1, 1}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{74139, 73329, 73891}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{26871, 27558, 27803}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{2028397, 1886587, 1926472}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{1, 1, 1}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{22769, 1, 22416}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{1, 20820, 22545}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{1, 69818, 1}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{177898, 159344, 173807}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{181648, 418385, 149783}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{109478, 99933, 99989}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{44885, 51365, 38956}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{766622, 714952, 739221}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{350726, 325523, 319876}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{1, 23704, 1}, {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", 
      ""}}, {464.3137, 13.325612, "Meta"} -> {{314381, 287994, 302107}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{91966, 73647, 72726}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{701282, 632058, 713914}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{37570, 47305, 39687}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{248198, 255859, 270720}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{61398, 76859, 70099}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{142009, 300910, 122064}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{206048, 236240, 188713}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{1, 1, 1}, {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", 
      ""}}, {974.6329, 13.33418, "Meta"} -> {{1, 25620, 1}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{44804, 44643, 53951}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{1, 51685, 1}, {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", 
      ""}}, {1519.9785, 13.33596, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{349991, 332227, 320794}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{140987, 264315, 108762}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{1, 16763, 1}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{30502, 44350, 61664}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{83708, 120172, 129914}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{225747, 192881, 222463}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{44947, 38664, 42696}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{1, 1, 1}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{1, 174553, 173401}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{339034, 306054, 307122}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{54033, 37817, 45932}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{1, 1, 1}, {"1alpha,25-dihydroxy-3-deoxy\
-3-thiavitamin D3 / 1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 \
H42 O2 S, db=80.09, overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= \
]", ""}}, {1076.7007, 13.356451, "Meta"} -> {{1, 23916, 1}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{347693, 336134, 317668}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{20142, 24827, 11258}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{45102, 33121, 33971}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{1, 96610, 1}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{511407, 1575956, 416726}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{1, 21692, 1}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{62017, 52086, 60846}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{1, 1, 1}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{1, 1, 1}, {"Dodecanoylcarnitine [ C19 \
H37 N O4, db=81.31, overall=82.03, mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", 
      ""}}, {276.2088, 13.420844, "Meta"} -> {{1, 39158, 44539}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{48127, 45555, 38700}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{866013, 821544, 742150}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{28937, 79128, 20686}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{18550, 17564, 1}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{530856, 428447, 572083}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{69157, 78131, 57303}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{1, 1, 1}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{290799, 236717, 255529}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{548545, 502958, 529650}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{1, 1, 1}, {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{1, 1, 1}, {"Buprenorphine [ C29 H41 N \
O4, db=56.11, overall=57.02, mfg=57.93, KEGG ID=C08007, CAS ID=52485-79-7 ]", 
      "52485-79-7"}}, {749.557, 13.453529, "Meta"} -> 
    {{37462, 93860, 27825}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{31264, 24224, 33931}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{47225, 50060, 44509}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{133729, 93921, 133453}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{6343277, 5875522, 6255414}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{1, 1, 1}, {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", 
      ""}}, {290.2271, 13.45814, "Meta"} -> {{1066507, 951278, 1029412}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{1, 15497, 16513}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{1, 17484, 1}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{41384, 33984, 35285}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{775147, 729917, 721058}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{48019, 36711, 41033}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{1, 111011, 210493}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{55676, 45802, 49465}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{58788, 168522, 50347}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{109750, 105541, 108047}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{722124, 629325, 645762}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{32767, 37757, 26544}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{1, 31838, 1}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{26892, 26781, 31849}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{66617, 66842, 71194}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{1, 1, 1}, {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", 
      ""}}, {1582.0507, 13.488418, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{1, 20418, 1}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{236585, 214443, 222326}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{39513, 37411, 45039}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{220984, 286028, 220332}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{50263, 110823, 107681}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{81545, 1, 65064}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{18830, 24313, 15574}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{652005, 716392, 554444}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{1, 1, 1}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{59929, 76731, 51757}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{1, 1, 1}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{1, 42832, 1}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{257745, 204071, 228568}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{1, 1, 1}, {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{70027, 179828, 54921}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{1, 1, 1}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{1, 76820, 1}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{1, 81312, 1}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{69104, 68489, 62319}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{1, 1, 1}, {"1,2-di-(7Z,10Z,13Z,16Z,19Z-\
docosapentaenoyl)-sn-glycerol [ C47 H72 O5, db=86.01, overall=86.31, \
mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, {242.2245, 13.545001, "Meta"} -> 
    {{59117, 59043, 59902}, {"Isopentadecylic acid [ C15 H30 O2, db=77.25, \
overall=77.28, mfg=77.31, KEGG ID=, CAS ID= ]", ""}}, 
   {781.5633, 13.551888, "Meta"} -> {{25492, 28784, 1}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{129430, 42788, 107612}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1, 15692, 1}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{1, 22249, 24788}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{2957654, 2966459, 2928889}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{13228, 14599, 13607}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{20097, 14518, 16435}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{451438, 397045, 428443}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{610399, 575432, 586698}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{36210, 38138, 34784}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{32817, 30376, 35922}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{49395, 50299, 47122}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{67322, 56129, 56997}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.14*^7, 1.1*^7, 1.07*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{485066, 503739, 414107}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{55173, 45686, 46903}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1371464, 1325076, 1257662}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{115211, 102463, 86462}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{15008, 1, 18263}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{96139, 86010, 71402}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{530691, 593008, 437271}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{134005, 123732, 131348}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{1, 1, 1}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{331235, 306466, 318002}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{22476, 19473, 29373}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{183827, 176797, 178332}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{1, 1, 1}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, overall=49.67, \
Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, {268.2041, 13.593537, "Meta"} -> 
    {{1, 1, 1}, {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 \
O3, db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{1, 1, 1}, {"3a-OH Desogestrel [ C22 H30 \
O2, db=73.72, overall=74.71, mfg=75.71, KEGG ID=, CAS ID=70805-84-4 ]", 
      "70805-84-4"}}, {607.3847, 13.599578, "Meta"} -> 
    {{1, 56369, 1}, {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", 
      ""}}, {502.3273, 13.58792, "Meta"} -> {{24650, 14403, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{1, 16903, 1}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{1, 1, 1}, {"1-(5Z,8Z,11Z,14Z-eicosatetr\
aenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H72 O5, \
db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS ID= ]", ""}}, 
   {458.3595, 13.593194, "Meta"} -> {{38380, 25733, 26375}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{1, 1, 1}, {"(23S,25R)-25-hydroxyvitamin \
D3 26,23-lactone / (23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 \
H40 O4, db=41.71, overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= \
]", ""}}, {628.5271, 13.600583, "Meta"} -> 
    {{1, 1, 1}, {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", 
      ""}}, {528.4019, 13.603054, "Meta"} -> {{60223, 60041, 56318}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{107897, 961123, 509455}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{1, 1, 1}, {"1,2-di-(8Z,11Z,14Z-eicosatr\
ienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, overall=87.60, mfg=88.01, KEGG \
ID=, CAS ID= ]", ""}}, {658.5381, 13.606923, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{1, 48956, 1}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{1, 1, 1}, {"(23R,25R)-1alpha,25-dihydro\
xyvitamin D3 26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ \
C27 H40 O5, db=77.98, overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG \
ID= ]", ""}}, {398.2149, 13.615879, "Meta"} -> 
    {{1, 1, 1}, {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, \
overall=53.23, mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{10808, 70951, 18299}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{41353, 40617, 20176}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{13509, 1, 1}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{66901, 76414, 72524}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{91571, 107703, 79221}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{13078, 15340, 11900}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{1, 1, 1}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{110873, 110000, 92593}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.45*^7, 1.46*^7, 1.4*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{68291, 43473, 53861}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{74152, 81139, 1}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{100894, 93261, 87168}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{78443, 79617, 80995}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{409486, 384281, 390487}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{27331, 31579, 27518}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{63341, 67614, 62698}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1211037, 1544718, 1497147}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{113011, 118455, 96661}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{44770, 41173, 40840}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{185522, 178084, 180349}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1672254, 1725693, 1609766}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{125718, 50505, 101912}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{77115, 111351, 101104}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{33075, 25880, 29019}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{132116, 150631, 168635}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{56329, 21829, 1}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{1, 21555, 1}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{1, 1, 1}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{52024, 1, 42475}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{77849, 49616, 60471}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{1, 1, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", 
      ""}}, {242.2248, 13.660813, "Meta"} -> 
    {{1, 1, 1}, {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, \
mfg=99.68, KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{20702, 19570, 1}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{1, 52145, 49509}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{1, 1, 1}, {"Dodecyl glucoside [ C18 H36 \
O6, db=91.61, overall=92.14, mfg=92.66, KEGG ID=, CAS ID=59122-55-3 ]", 
      "59122-55-3"}}, {665.3876, 13.666133, "Meta"} -> 
    {{1, 22657, 1}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{132201, 136585, 132440}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{84649, 241743, 68142}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{56262, 49070, 55467}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{91217, 105250, 97593}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{21164, 36023, 21317}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> 
    {{1, 1, 1}, {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, \
db=76.78, overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{1, 55980, 1}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1, 95644, 19196}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{31462, 28904, 28535}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{77937, 76138, 73248}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{96269, 97527, 109407}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{139588, 142132, 126273}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{155097, 427029, 106982}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{17782, 102684, 28015}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{12529, 30301, 1}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{1, 1, 1}, {"3-keto palmitic acid [ C16 \
H30 O3, db=63.09, overall=63.15, mfg=63.21, Lipid ID=LMFA01060051, KEGG ID= \
]", ""}}, {988.6851, 13.703963, "Meta"} -> {{1, 19204, 1}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{1, 1, 1}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{360268, 413500, 332159}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{1, 10915, 1}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{27107, 100238, 99595}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{1, 36067, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{1, 1, 1}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{1, 18703, 1}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1, 1, 1}, {"Glycolaldehyde [ C2 H4 O2, \
db=85.75, overall=42.87, KEGG ID=C00266, CAS ID=141-46-8 ]", "141-46-8"}}, 
   {402.28, 13.704411, "Meta"} -> {{1, 25649, 1}, {"1alpha-hydroxy-26,27-dino\
rvitamin D3 25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ \
C25 H38 O4, db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG \
ID= ]", ""}}, {668.5394, 13.704, "Meta"} -> {{1, 33899, 1}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1, 92918, 21366}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{1, 9964, 1}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{1, 1, 17370}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{1, 1, 1}, {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", 
      ""}}, {90.0319, 13.728286, "Meta"} -> {{1, 60933, 1}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{357790, 337852, 312274}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{87062, 90718, 75103}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{39647, 39421, 36896}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1, 37897, 1}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{1, 1, 1}, {"1-(10Z,13Z,16Z-docosatrieno\
yl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C47 H74 O5, \
db=80.18, overall=81.13, mfg=82.08, KEGG ID=, CAS ID= ]", ""}}, 
   {665.3878, 13.741818, "Meta"} -> {{1, 36027, 1}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{695410, 849999, 800177}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{1, 1, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", 
      ""}}, {694.5558, 13.729958, "Meta"} -> 
    {{1, 1, 1}, {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetra\
enoyl)-sn-glycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG \
ID=, CAS ID= ]", ""}}, {440.3139, 13.727459, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{17182, 1, 1}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{37286, 39203, 39389}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{1, 1, 1}, {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", 
      ""}}, {1163.2253, 13.731114, "Meta"} -> 
    {{1, 1, 1}, {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", 
      ""}}, {598.517, 13.732165, "Meta"} -> 
    {{1, 1, 1}, {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{116754, 155388, 132416}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{1, 1, 1}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1, 49587, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{175838, 635644, 119347}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{158003, 122426, 115497}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{1098611, 847271, 978926}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{100391, 61086, 69683}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{322670, 237834, 195837}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{99410, 150306, 121361}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{53435, 62551, 56548}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{43241, 49226, 53326}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{15308, 14602, 13813}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{16570, 16848, 16460}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{23377, 25640, 19102}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{1, 315127, 1}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{1.87*^7, 2.*^7, 1.94*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{1, 64060, 1}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{1, 35705, 25050}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{192268, 486179, 130185}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{4933648, 4982195, 4724708}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{149955, 147522, 136766}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{1, 28412, 1}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{21543, 18914, 19960}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{424107, 404264, 389033}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{202959, 183737, 190322}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{76071, 179739, 53431}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{264811, 250297, 270615}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{1, 1, 1}, {"1-(8Z,11Z,14Z-eicosatrienoyl)-\
2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H74 O5, db=90.28, \
overall=90.44, mfg=90.61, KEGG ID=, CAS ID= ]", ""}}, 
   {364.2172, 13.803227, "Meta"} -> {{112044, 93453, 114166}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{279031, 219560, 292258}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{359285, 325767, 342697}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{1, 115598, 1}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{382947, 1045411, 260107}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1, 1, 1}, {"1-(10Z,13Z,16Z-docosatrienoy\
l)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H76 O5, \
db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS ID= ]", ""}}, 
   {1201.2408, 13.825529, "Meta"} -> {{171931, 188318, 171964}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{1, 1, 1}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{472743, 405347, 430951}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{62840, 128553, 42535}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{44937, 155068, 30663}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{1, 1, 1}, {"Ubiquinone 8 [ C49 H74 O4, \
db=69.60, overall=69.56, mfg=69.52, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{1611792, 1220613, 1441565}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 \
S, db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{1, 1, 1}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, overall=54.22, \
mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1, 75365, 1}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{1, 15948, 1}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{47557, 55565, 43372}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{256249, 216318, 252112}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{324941, 284528, 331382}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{88687, 74433, 48583}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{1, 51033, 1}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{1, 16075, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1883349, 1828123, 1728921}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{137688, 136142, 124688}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{1, 1, 1}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{197568, 546599, 128276}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{233236, 281620, 230819}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{21898, 17242, 18522}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{1, 12504, 1}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{85434, 94483, 95055}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{116579, 95188, 97032}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{123820, 117796, 119189}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{121401, 162117, 157997}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{1261913, 42350, 41760}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{203852, 366713, 343910}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{37266, 39997, 31601}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{1, 32567, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{1, 16934, 13539}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2698348, 2665272, 2446647}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{1, 22269, 1}, {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", 
      ""}}, {612.2584, 13.870605, "Meta"} -> {{1, 28097, 31220}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{1, 14187, 1}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{1, 21636, 18878}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{69175, 115962, 122417}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{19386, 31786, 34269}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{13987, 28740, 20710}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{26329, 38280, 38157}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{14894, 20406, 24636}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{148596, 135780, 141118}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{404329, 201046, 1}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{103404, 100016, 99984}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{38342, 38804, 40409}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{39408, 61400, 61549}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{1, 1, 15058}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{457728, 457364, 431141}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{143822, 50244, 1}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{446637, 426189, 423491}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{87770, 83655, 81555}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{32967, 73248, 101566}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 51651, 78544}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{1, 31191, 1}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{64556, 56251, 54343}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{285527, 473428, 1}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{108000, 136239, 119068}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{1, 32686, 1}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{70440, 79215, 72012}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{244940, 226347, 229520}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{1, 498288, 512592}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{25360, 25842, 21850}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{1, 20083, 1}, {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", 
      ""}}, {436.3164, 13.907481, "Meta"} -> 
    {{1, 1, 1}, {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{1, 330273, 1}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{1, 44515, 90190}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{394578, 219835, 355874}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{1, 14909, 1}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1, 146077, 20672}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{110521, 107014, 110834}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{1, 1, 1}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{127945, 131564, 126243}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{1, 1, 1}, {"1-(11Z-eicosenoyl)-2-(7Z,10\
Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C45 H76 O5, db=89.24, \
overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1, 30121, 1}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{1891294, 1783746, 1784441}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{2925569, 2849447, 2563359}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{45298, 94340, 92857}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{15979, 50009, 1}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{60013, 73036, 54452}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{1, 1, 1}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{52617, 38820, 32885}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{68630, 60859, 62091}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{33970, 29506, 27843}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{17703, 1, 1}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{54724, 51385, 50203}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{347015, 319129, 344202}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{3.41*^7, 3.27*^7, 3.09*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{24519, 27434, 21159}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{69904, 62339, 60156}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{70384, 59420, 39709}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{53145, 33633, 27906}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{137956, 135559, 134272}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{19731, 20505, 16459}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{11538, 13231, 13322}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{1, 1, 1}, {"1-(9Z,12Z-octadecadienoyl)-\
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ C41 H68 O5, db=76.04, \
overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", ""}}, 
   {470.3611, 13.978558, "Meta"} -> {{99766, 97749, 94720}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{111044, 98037, 92105}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{241604, 228827, 218417}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{48721, 44577, 1}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3007185, 2822281, 2626195}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{24274, 48289, 29243}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{73869, 80188, 74479}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{39353, 30401, 22868}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{46805, 1, 44321}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{37108, 41431, 41077}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{9941, 10441, 9858}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{1, 70176, 1}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{77648, 66553, 64801}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{65682, 75577, 64100}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{68344, 64913, 58634}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{19758, 31898, 14854}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{57571, 53852, 56627}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{33759, 1, 54979}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4860151, 5011859, 4697488}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{16313, 19110, 14581}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{1723091, 1631517, 1568617}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{30134, 41279, 29171}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{437236, 393197, 389915}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{1, 35844, 1146535}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{365079, 378822, 355273}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{101285, 91092, 105570}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{73510, 77587, 75038}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{66500, 58820, 57651}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1, 796193, 1}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{94951, 97186, 103629}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{1, 28169, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{32980, 1, 19879}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{595529, 628818, 609200}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{1, 38840, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", 
      ""}}, {529.2714, 14.022335, "Meta"} -> {{482276, 547228, 549321}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> 
    {{1, 1, 1}, {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{97790, 98981, 88465}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{32373, 35366, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{1, 27908, 13424}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{27880, 44099, 33128}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1070108, 1564965, 1059616}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{40641, 42658, 1}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{21503, 22361, 17116}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{128427, 133213, 103254}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{411313, 422160, 382557}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{304717, 307803, 266514}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{1, 1, 1}, {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", 
      ""}}, {394.2854, 14.0495615, "Meta"} -> 
    {{1, 1, 1}, {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{1, 18552, 1}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{417973, 421941, 1}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{25262, 19352, 1}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{56120, 212671, 88051}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{1, 17530, 26386}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{53564, 53402, 58017}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{794202, 661913, 602131}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{851847, 894564, 779414}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{1, 26124, 1}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{181228, 167384, 125314}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{140446, 98352, 74641}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{897949, 878613, 799247}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{494396, 510981, 493456}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{18256, 16915, 16625}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{41058, 24275, 15998}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{72220, 84571, 74978}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{36521, 33047, 35706}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{78836, 68590, 67329}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{156223, 152497, 156192}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{131861, 113235, 128315}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{7.19*^7, 7.13*^7, 6.72*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{113232, 73956, 63741}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{1, 1, 1}, {"Nefazodone [ C25 H32 Cl N5 \
O2, db=58.17, overall=59.78, mfg=61.40, KEGG ID=C07256, CAS ID=83366-66-9 ]", 
      "83366-66-9"}}, {803.5343, 14.0876, "Meta"} -> 
    {{60612, 57592, 51506}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{47916, 22712, 1}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{53335, 64900, 65121}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{22262, 24052, 23310}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{39735, 35087, 35371}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{59854, 53553, 41248}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{37964, 36259, 35257}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{129607, 119483, 115028}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{56492, 53007, 73237}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{34849, 60602, 1}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{306875, 330569, 336823}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{1, 1, 57111}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{43860, 44537, 41246}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{28576, 28544, 29276}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{1, 1, 1}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{42682, 48247, 113956}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{214948, 209036, 206758}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{3122402, 2841644, 2780219}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{2495750, 2370696, 2152244}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{1, 103261, 1}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{384904, 352940, 369836}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{47082, 1, 31261}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{1, 38309, 29554}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{25825, 51362, 1}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{27994, 37996, 41086}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{881252, 457388, 420108}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{23182, 19928, 119200}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{20701, 21458, 18889}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{41640, 45114, 38809}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{373359, 399440, 384082}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{90982, 84179, 1}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{71719, 77879, 70110}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{69520, 67806, 65014}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{59342, 75643, 68074}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{330577, 1360901, 567749}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{160632, 171021, 160299}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{1, 1, 1}, {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", 
      ""}}, {328.2979, 14.143391, "Meta"} -> {{32957, 53719, 35449}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1, 1, 1}, {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", 
      ""}}, {724.6022, 14.142641, "Meta"} -> {{17899, 268429, 58231}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{100504, 62339, 107441}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{157232, 412106, 223333}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{1, 1, 1}, {"Glycolaldehyde [ C2 H4 O2, \
db=98.29, overall=49.15, KEGG ID=C00266, CAS ID=141-46-8 ]", "141-46-8"}}, 
   {418.3289, 14.148055, "Meta"} -> {{563760, 1445002, 577619}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{123696, 1, 111885}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{36526, 62339, 32861}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{1006731, 972828, 807596}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{1, 25342, 1}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{1, 14403, 1}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{10779, 1, 1}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{111293, 111878, 116077}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{1351364, 1409731, 1257790}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{1, 38432, 1}, {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", 
      ""}}, {368.2477, 14.167957, "Meta"} -> {{15428, 17143, 14966}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{10551, 45577, 18071}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{199403, 198646, 180080}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{152479, 158580, 145138}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{25177, 25861, 26550}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{47009, 49811, 41043}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{15727, 58557, 22405}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{2237267, 1950609, 1995136}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{287309, 289502, 279387}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{271633, 289384, 243925}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{32426, 65717, 1}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{5426451, 5083937, 4889426}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{1, 61365, 38985}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{838400, 860259, 700884}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{777393, 797119, 801998}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{45040, 90791, 63984}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{29200, 23881, 26647}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{152221, 169221, 137799}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{132488, 122325, 110776}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{2557578, 2229012, 1990918}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{15026, 15301, 1}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{135256, 140103, 129663}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{1, 1, 18488}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{123941, 124449, 125481}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{1, 27622, 20383}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{1, 1, 1}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=82.32, \
overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{64980, 209136, 160007}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{398232, 384903, 357121}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{105285, 103484, 100409}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{35551, 34099, 44490}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{79257, 79454, 1}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{115419, 109692, 97943}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{86700, 92018, 88389}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{148104, 164114, 146868}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{265330, 259915, 243318}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{1663207, 1773180, 1433319}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{106864, 100632, 87454}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{95744, 70682, 84249}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{252068, 256858, 204690}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{59559, 61342, 1}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{390784, 1, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{377542, 335604, 305346}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> 
    {{1, 1, 1}, {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", 
      ""}}, {480.3798, 14.25231, "Meta"} -> {{175236, 132978, 100882}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6995245, 6962741, 6700586}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{622210, 235113, 534443}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{77625, 56756, 63940}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{1, 61254, 38278}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{481749, 561992, 457378}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{440219, 452778, 537551}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{1, 90117, 1}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{35250, 36003, 37741}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{63435, 57447, 67140}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{66634, 62477, 63471}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{318773, 299725, 365785}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{90078, 83686, 82815}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{1, 97426, 1}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{29204, 26335, 26422}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{65969, 50766, 59195}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{97842, 90686, 93721}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{1, 410511, 349735}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{53793, 57256, 66641}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4819665, 4653605, 4646203}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{106856, 107895, 106233}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{117327, 130796, 103343}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2355705, 2341457, 2443471}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{23931, 30664, 32545}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{414665, 434600, 433258}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{38069, 33870, 29254}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{32600, 26114, 33034}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{1, 1, 26059}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 O4, \
db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{611426, 297242, 305305}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{44067, 48854, 41601}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{1029138, 696526, 690841}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{551753, 517588, 332850}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{5757698, 5598849, 5284635}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{1, 17592, 18356}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{67181, 63554, 55911}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{591373, 651255, 524323}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{38331, 1, 36133}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{89246, 86766, 87807}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{1, 1, 1}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-\
en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, Lipid ID=, \
KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{1, 1, 1}, {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", 
      ""}}, {408.3005, 14.322209, "Meta"} -> 
    {{1, 1, 1}, {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, \
db=50.67, overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", 
      "2455-14-3"}}, {514.3657, 14.333839, "Meta"} -> 
    {{1, 1, 1}, {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", 
      ""}}, {448.3553, 14.329122, "Meta"} -> {{4534253, 4521116, 4030174}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", 
      ""}}, {352.1709, 14.331971, "Meta"} -> {{43063, 40782, 37145}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{148736, 136694, 137071}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1, 1, 1203492}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{51478, 34461, 28904}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{80300, 73712, 65156}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{1, 1, 1131748}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{55315, 57318, 34852}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{15995, 17576, 1}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{152575, 182651, 132118}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{1, 8844, 1}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{29393, 18277, 1}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{1, 11065, 1}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{1, 1, 1}, {"1-(11Z-eicosenoyl)-2-(7Z,10\
Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C45 H76 O5, db=76.92, \
overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{89420, 115084, 54960}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{1, 1, 1}, {"Ubiquinone 8 [ C49 H74 O4, \
db=61.47, overall=63.06, mfg=64.65, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{10715, 12816, 1}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{53435, 59197, 40137}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{12894, 18361, 10746}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{1.42*^7, 1.49*^7, 1.13*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{23445, 1, 24262}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{11827, 28100, 18671}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{35032, 49949, 44235}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{1, 1, 1}, {"1-nonadecanoyl-2-(4Z,7Z,10Z\
,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ C44 H74 O5, db=70.28, \
overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{65582, 74221, 63636}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{20930, 18556, 1}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{1707215, 1609982, 1348674}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{29165, 17675, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{35783, 34224, 24843}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{143911, 182924, 131294}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{300963, 494064, 325683}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1422562, 1287073, 1354195}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{112013, 110986, 116195}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1533944, 1522841, 1}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{90554, 117875, 1}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{49998, 67176, 70183}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1878908, 1055089, 1841134}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{160400, 124428, 140114}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{620583, 274996, 620161}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{249479, 218669, 226395}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{1, 1, 12733}, {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", 
      ""}}, {448.2782, 14.412751, "Meta"} -> {{45842, 36477, 36769}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{318981, 246151, 677642}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{108636, 93447, 1}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{1, 1, 47671}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{1637087, 1407510, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2034571, 1532656, 1973564}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1401623, 473958, 1458224}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{45552, 52125, 41848}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{1116405, 1027916, 987695}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{49591, 46425, 41945}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{25439, 121046, 83093}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{17551, 31962, 15133}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{165839, 198531, 174834}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{49242, 28379, 70444}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2007268, 1752375, 1936593}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{1, 1, 1}, {"3beta,7beta-Dihydroxy-12-oxo\
-5beta-cholan-24-oic Acid [ C24 H38 O5, db=40.73, overall=40.55, mfg=40.37, \
Lipid ID=, KEGG ID= ]", ""}}, {617.2878, 14.457032, "Meta"} -> 
    {{49282, 19081, 13695}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{116861, 95056, 107557}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{108536, 76184, 144845}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{419507, 254674, 410134}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 247911, 305113}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{6299315, 5462829, 6077369}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{26610, 1, 1}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{54937, 72216, 1}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1231151, 1173678, 1189239}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{69870, 52732, 67757}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{47961, 44100, 36065}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{1, 1, 1}, {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", 
      ""}}, {422.3164, 14.500791, "Meta"} -> 
    {{1, 1, 1}, {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", 
      ""}}, {446.3609, 14.505896, "Meta"} -> 
    {{1, 1, 1}, {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", 
      ""}}, {574.4604, 14.511802, "Meta"} -> {{2854036, 1632397, 2522840}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{787815, 703708, 1011908}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{563179, 247336, 543424}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{78864, 94038, 140867}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{71790, 67705, 169668}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{78959, 83814, 80006}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{101067, 19136, 37733}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1935203, 1609719, 1975517}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{20306, 16120, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{79513, 74471, 62210}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{131667, 117629, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{889717, 846908, 857605}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{385345, 479587, 420161}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{106897, 1, 87562}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{1, 578793, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{1, 1, 1}, {"1,25-Dihydroxyvitamin D3 \
3-glycoside [ C33 H54 O8, db=88.78, overall=89.62, mfg=90.46, Lipid \
ID=LMST03020611, KEGG ID= ]", ""}}, {1224.7332, 14.552747, "Meta"} -> 
    {{1, 1, 1}, {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", 
      ""}}, {404.3134, 14.550419, "Meta"} -> {{1, 20217, 1}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{19353, 1, 1}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1806472, 1758496, 1671756}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{467910, 366769, 401081}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{1, 1, 1}, {"1-(11E-octadecenoyl)-rac-glyc\
erol [ C21 H40 O4, db=93.99, overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", 
      ""}}, {616.4681, 14.60106, "Meta"} -> {{1460179, 1123541, 1303334}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{19088, 1, 13847}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{24126, 32535, 18509}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{194770, 210206, 155952}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{38056, 40959, 41771}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{120989, 229395, 105786}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{1, 157290, 164965}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{55689, 51979, 51279}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{218768, 198330, 198081}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{51250, 50586, 42380}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{64659, 76265, 57924}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{21546, 1, 1}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{1, 15021, 1}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{3.77*^7, 2.67*^7, 3.53*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{283038, 130922, 1}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{127142, 128405, 128121}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{123906, 99146, 65918}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{129503, 52431, 70915}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{13456, 1, 25232}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{75813, 78509, 74112}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{55385, 181879, 194468}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{122589, 164145, 108778}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{79425, 70484, 112537}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1388381, 1118551, 1315171}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 312290, 439537}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{288370, 1, 195070}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{1233774, 1220923, 1237953}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{273237, 155415, 162916}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{31222, 53186, 22637}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1413022, 1413751, 1329213}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{43582, 56231, 43493}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{36435, 17083, 1}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{24796, 24080, 22705}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{20225, 41576, 1}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{1, 1, 1}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{337975, 343219, 280379}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{382673, 96439, 294988}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{1, 1, 1}, {"5beta-Cholane-3alpha,24-dio\
l [ C24 H42 O2, db=69.29, overall=69.40, mfg=69.51, Lipid ID=, KEGG ID= ]", 
      ""}}, {778.583, 14.684124, "Meta"} -> 
    {{1, 1, 1}, {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", 
      ""}}, {650.4218, 14.68346, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", 
      ""}}, {606.414, 14.685029, "Meta"} -> {{1, 47161, 13670}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{66021, 60322, 49942}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{1, 14556, 1}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{39107, 48628, 33316}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{21003, 26442, 18840}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{125773, 1, 34166}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{1.56*^7, 1.45*^7, 1.41*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{99457, 69976, 53315}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{1, 1, 1}, {"Ganglioside GA1 \
(d18:1/16:0) [ C60 H110 N2 O23, db=96.79, overall=96.78, mfg=96.77, HMP \
ID=HMDB04902, KEGG ID= ]", ""}}, {1193.342, 14.707576, "Meta"} -> 
    {{1, 1, 38286}, {"", ""}}, {659.4979, 14.706516, "Meta"} -> 
    {{29587, 49269, 1}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{401393, 402230, 374484}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{369062, 328439, 341630}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{53236, 44170, 27504}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{201986, 1, 1}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{899933, 957089, 1063693}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{81186, 69358, 68983}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{1069473, 982423, 1125338}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{812077, 806438, 688298}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{172663, 152826, 143262}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{18848, 26747, 1}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{72788, 72196, 44173}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{157145, 197148, 118549}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{19292, 34005, 1}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{87371, 65342, 71950}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{189397, 168958, 112527}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{1, 1, 1}, {"24-hydroxy-10Z-tetracosenoi\
c acid [ C24 H46 O3, db=79.60, overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= \
]", ""}}, {516.4182, 14.740686, "Meta"} -> {{267734, 230714, 251037}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{96193, 103039, 83543}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{68294, 52634, 72628}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{4333407, 3769241, 4065010}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{666547, 668940, 636931}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{1, 18228, 1}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{44560, 56593, 42113}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{1, 1, 1}, {"Hexacosanedioic acid [ C26 \
H50 O4, db=95.67, overall=95.83, mfg=96.00, Lipid ID=LMFA01170040, KEGG ID= \
]", ""}}, {338.319, 14.768223, "Meta"} -> {{98475, 136698, 87880}, 
     {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, db=97.79, overall=98.03, \
mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, {388.3346, 14.770242, "Meta"} -> 
    {{1, 18047, 1}, {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{197676, 1, 185891}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{13314, 18695, 10793}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{40320, 48386, 40500}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{79120, 88184, 81115}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{71490, 106839, 55036}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{11248, 35432, 1}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-chol\
an-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid ID=, \
KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{1, 1, 43399}, {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", 
      ""}}, {596.4432, 14.79043, "Meta"} -> {{207276, 189469, 198200}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{424239, 391637, 452071}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{661224, 625321, 711343}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{1, 38994, 1}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{29277, 56236, 23432}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{78632, 144303, 1}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{1, 16670, 1}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{1, 13081, 1}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{1, 18808, 1}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{343420, 636865, 235466}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{1, 1, 1}, {"Triacontanedioic acid [ C30 \
H58 O4, db=73.77, overall=74.73, mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= \
]", ""}}, {530.434, 14.862272, "Meta"} -> {{544435, 570773, 512364}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{29072, 35081, 21897}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{29870, 30783, 27014}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{51502, 1, 47114}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{1, 36499, 10859}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{24132, 41301, 26086}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{1479337, 1390964, 1374127}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{1, 39159, 1}, {"5,9,19-hexacosatrienoic \
acid [ C26 H46 O2, db=93.07, overall=94.01, mfg=94.96, Lipid ID=, KEGG ID= ]"\
, ""}}, {506.4338, 14.890211, "Meta"} -> {{177603, 184691, 1}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{1, 30520, 1}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{524433, 931098, 351988}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{91118, 160164, 71557}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{140014, 226092, 100879}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{21408, 42868, 1}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2599864, 2477345, 2580492}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{1, 62343, 1}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{1, 1, 1}, {"Nervonic acid [ C24 H46 O2, \
db=89.27, overall=90.47, mfg=91.68, KEGG ID=, CAS ID=506-37-6 ]", 
      "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{1, 1, 1}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, db=87.49, \
overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{197543, 152503, 169513}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{1, 9517, 1}, {"5-b-Cholestane-3a ,7a \
,12a-triol [ C27 H48 O3, db=86.02, overall=87.15, mfg=88.29, HMP \
ID=HMDB01457, KEGG ID= ]", ""}}, {436.3921, 14.946553, "Meta"} -> 
    {{1, 13553, 1}, {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, \
overall=62.07, mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1449.1265, 14.950082, "Meta"} -> {{1, 1, 1}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{18403, 34256, 1}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{112066, 207606, 82508}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{1, 58808, 54775}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{139226, 284043, 102905}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{19532, 32999, 12216}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{40647, 72112, 27853}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{149219, 138802, 128891}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{1, 1, 1}, {"24-hydroxy-tetracosanoic \
acid [ C24 H48 O3, db=95.68, overall=95.89, mfg=96.10, Lipid ID=, KEGG ID= ]"\
, ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{1, 1, 1}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{17453, 85667, 70922}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{1, 1, 1}, {"2-hydroxy-hexacosanoic acid \
[ C26 H52 O3, db=97.54, overall=97.59, mfg=97.65, Lipid ID=, KEGG ID= ]", 
      ""}}, {608.5019, 14.965333, "Meta"} -> {{1, 155819, 138514}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{1, 28289, 1}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{622125, 682322, 571769}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{120585, 1, 119342}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{3282326, 2951411, 3058523}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{366193, 324732, 447067}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{1, 1, 1}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{32847, 52017, 1}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{68664, 1, 62327}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{733439, 1111815, 878534}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{1, 1, 1}, {"27-Hydroxycholesterol [ C27 \
H46 O2, db=51.32, overall=25.66, HMP ID=HMDB02103, KEGG ID= ]", ""}}, 
   {340.3347, 14.997696, "Meta"} -> {{33530, 51633, 26855}, 
     {"calcifediol [ C22 H44 O2, db=98.60, overall=98.61, mfg=98.62, KEGG \
ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, {702.3001, 15.004833, "Meta"} -> 
    {{1, 1, 1}, {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", 
      ""}}, {596.2973, 15.012134, "Meta"} -> {{1, 1, 28797}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{1, 1, 878046}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{1, 26902, 1}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{24767, 57198, 15298}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{1, 20697, 1}, {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", 
      ""}}, {366.3506, 15.024555, "Meta"} -> {{60338, 128804, 39549}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{1, 1, 1}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{1468569, 1694626, 1430713}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{60782, 66218, 53345}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{55681, 153748, 29721}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{33167, 59553, 22295}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{1, 46279, 1}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{1, 1, 1}, {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", 
      ""}}, {762.5907, 15.062805, "Meta"} -> {{1267761, 2488888, 1028094}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{31126, 51422, 23106}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{72890, 89482, 52749}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{1, 19164, 1}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{17970, 22122, 1}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{37304, 67102, 1}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{1, 1, 51682}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{219592, 248490, 1}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{76471, 90696, 69944}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{1, 25475, 1}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{107709, 184432, 73606}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{26936, 16505, 21552}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{12957, 17160, 11979}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{373340, 705464, 228765}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{1, 1, 1}, {"toxisterol_3 B1/ \
(5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{52346, 127935, 23960}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{15471, 28671, 1}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{140728, 285545, 103805}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{34148, 83517, 21661}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{523155, 1226267, 244794}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{1, 1, 1}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{39434, 38420, 1}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{1, 93659, 1}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{103509, 507201, 55659}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{33520, 20218, 1}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{104090, 144555, 80808}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{70620, 70080, 24935}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{34558, 95334, 14712}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{22438, 61676, 21639}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{48931, 102037, 27477}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{116249, 519815, 121902}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{16712, 36048, 1}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{1, 1, 1}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, db=98.44, \
overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{1, 35079, 1}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{61082, 89507, 44273}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{398223, 435200, 413201}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{104555, 1, 58327}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{26822, 36638, 23445}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1, 108048, 1}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{39412, 60330, 24676}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{216106, 535355, 117346}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{163072, 251097, 113014}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{107558, 161660, 77259}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{47981, 61292, 37189}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{31340, 50183, 22428}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{16664, 27299, 1}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{283965, 337020, 218968}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{100492, 335533, 54358}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1079474, 1181003, 859814}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{393611, 687361, 258230}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{41790, 58277, 35153}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{57006, 95335, 41245}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{28291, 41738, 1}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{69711, 113193, 46898}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{61543, 96244, 39020}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2337694, 2628619, 1896105}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{408186, 634419, 258496}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{34349, 47061, 23927}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{11046, 20021, 1}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{152995, 177117, 125213}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{28052, 48066, 22289}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{1, 1, 1}, {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", 
      ""}}, {737.5373, 15.302804, "Meta"} -> {{35472, 63322, 29477}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{1, 22891, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{255790, 298668, 209993}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{143540, 212368, 112299}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{120000, 184198, 98469}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{18949, 21115, 1}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{708605, 961485, 556913}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{105735, 128899, 90301}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{61399, 78796, 40602}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{1, 27676, 1}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{53793, 70063, 47771}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{60944, 71442, 45182}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{78215, 122903, 52487}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1384230, 1685178, 1121803}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{1, 21645, 1}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{323399, 541845, 219177}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{83900, 108023, 73234}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{57047, 106180, 44705}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{39563, 88338, 46739}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{647312, 757586, 476080}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{22866, 36116, 17829}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{1587305, 1818990, 1239109}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{1, 14007, 1}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{248685, 321582, 210798}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{111152, 201695, 149470}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{18321, 26448, 1}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{1, 17335, 1}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{74686, 108089, 54385}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{42179, 1, 1}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{1, 1, 1}, {"Cholesteryl nitrolinoleate \
[ C45 H75 N O4, db=71.98, overall=72.53, mfg=73.09, Lipid ID=LMST01020028, \
KEGG ID= ]", ""}}, {653.5966, 15.547957, "Meta"} -> 
    {{1, 1, 1}, {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", 
      ""}}, {572.2969, 15.5667, "Meta"} -> {{1, 52684, 1}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{72475, 1, 49749}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{406173, 597178, 289831}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{65304, 95669, 44926}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{1, 12057, 1}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{104777, 149958, 91352}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{14360, 21985, 10956}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{1, 41154, 1}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{18584, 40145, 1}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{100974, 146227, 76309}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{86539, 100397, 90019}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{1, 1, 1}, {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", 
      ""}}, {735.6388, 15.61692, "Meta"} -> 
    {{1, 1, 1}, {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", 
      ""}}, {855.6365, 15.652359, "Meta"} -> {{149698, 217105, 126454}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{33992, 72321, 20103}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{16681, 22102, 1}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1, 40288, 20919}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{397638, 618806, 252872}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{39861, 63394, 1}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{1, 38836, 1}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{497656, 813608, 370744}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 58392, 1}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{1, 75886, 1}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{24935, 32759, 13653}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{1, 24196, 1}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{20152, 1, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{1, 46710, 1}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{95548, 199538, 95988}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{31620, 59197, 36013}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{39015, 65975, 1}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{1, 54155, 1}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{50349, 131627, 38936}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{1, 17940, 1}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{1, 10796, 1}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{1, 12196, 1}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{1, 1, 1}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{1, 73860, 1}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{1, 59030, 1}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{1, 31465, 1}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1, 71212, 1}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1, 1, 2407171}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{30213, 60778, 22305}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{1, 1, 1}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{1, 1, 1}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{1, 1, 1}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{1, 16730, 1}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{34475, 1, 27952}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{22046, 23108, 20184}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{24728, 23690, 22160}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{19942, 1, 16813}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{18827, 1, 18126}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{20101, 20852, 21178}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{1, 13268, 12410}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{163221, 187329, 149406}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{229748, 204136, 213219}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{180084, 160810, 163362}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{339106, 448459, 1}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{34197, 36346, 1}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{278730, 331803, 363108}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{1, 1, 69392}, {"1-Pyrroline-5-carboxylic \
acid [ C5 H7 N O2, db=81.81, overall=82.31, mfg=82.81, KEGG ID=, CAS \
ID=2906-39-0 ]", "2906-39-0"}}, {268.0812, 0.8973462, "Meta"} -> 
    {{35941, 39052, 1}, {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, \
mfg=61.56, KEGG ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, 
   {488.12, 1.2590418, "Meta"} -> {{1, 25925, 38359}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{70570, 56463, 74812}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{1154046, 1143500, 1098082}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{6946112, 6822698, 6614104}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{61648, 62745, 58122}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{50926, 46853, 1}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{1, 13196, 1}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{99353, 107210, 103813}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{61257, 57972, 62064}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{27345, 24889, 24578}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{23821, 20786, 19609}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{29874, 25505, 22975}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{1, 18015, 1}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{1, 22769, 1}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{1, 19058, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{59414, 66172, 57804}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{270909, 239774, 1}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{31457, 19937, 27353}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 1, 212899}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{58363, 58019, 63793}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{22958, 22550, 20526}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{27197, 12134, 23360}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{1, 14947, 15750}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{25066, 24832, 21915}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{1, 33446, 29112}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{24998, 25713, 23372}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{29333, 25767, 22288}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{47986, 41791, 40430}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{25236, 25199, 24917}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{43438, 1, 1}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{30986, 31840, 28439}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{34538, 72595, 29854}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{1, 24862, 1}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{127517, 53066, 1}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{1, 15671, 1}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{47826, 48829, 38156}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{135894, 120292, 173589}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{128724, 85653, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{67223, 71317, 68809}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{31554, 70081, 20999}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{1, 45427, 39221}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{148699, 135517, 129454}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{51049, 56762, 59979}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{99521, 95369, 97979}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{34686, 15722, 1}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{14328, 15746, 15158}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{188306, 182120, 178958}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{170013, 158676, 155872}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{116603, 103888, 97554}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{22299, 21893, 19117}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{99696, 94084, 1}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{1098489, 1125157, 1509392}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{58266, 51841, 22394}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{19090, 20435, 18758}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{10558, 15056, 13242}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{20975, 29739, 26479}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{107086, 102860, 88301}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{194650, 283364, 174645}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{1, 36174, 93647}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{182113, 206552, 154130}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1318852, 1032921, 1122801}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{75829, 73790, 66324}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{113841, 102383, 149880}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{56842, 50814, 71511}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{101110, 62180, 92291}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{38706, 1, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{28596, 65107, 13589}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{1, 25827, 1}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{91974, 1, 63049}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{148363, 214907, 126234}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{110923, 136600, 91612}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 170601, 161207}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{170661, 244173, 165867}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{1, 22365, 1}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{148911, 204901, 124104}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{521803, 845499, 672912}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{55420, 1, 49624}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{40238, 1, 50876}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{107713, 95248, 116985}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{203445, 194964, 203102}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 203190, 1}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{71679, 1, 58703}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{44273, 46142, 38096}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{1, 1, 40870}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{37266, 1, 49391}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{345874, 324275, 313216}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{182387, 153754, 159374}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{1, 37449, 51581}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{51830, 61951, 46911}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{559797, 373331, 492456}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{47392, 42192, 39553}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{1, 40722, 41819}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> 
    {{1, 1, 1}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{61019, 51881, 67427}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{58976, 82086, 43207}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{86455, 66766, 92367}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{224279, 189089, 218099}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{120485, 132307, 94926}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{508595, 418742, 553302}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{52071, 85551, 42494}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 30318, 41837}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{16542, 1, 19014}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{72657, 1, 205859}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 1, 111873}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "12" -> <|{457.0024, 0.34764, "Meta"} -> {{1, 15456, 18705}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{33090, 27862, 25676}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{16774, 14064, 17175}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{15407, 12212, 14175}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{28048, 23243, 22299}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{85672, 70172, 72321}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{49760, 42926, 41238}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{45098, 34515, 34614}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{13965, 9948, 14127}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{9884, 9838, 9046}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{20044, 19892, 18268}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{14293, 11957, 11606}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{21996, 18434, 19409}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{19171, 19585, 19139}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{1, 10033, 1}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{19630, 20219, 17767}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{38390, 33445, 32409}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{55904, 58031, 55863}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{1, 17483, 17154}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{72963, 73445, 77731}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{65222, 65145, 64237}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{56932, 57083, 58421}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{79729, 81663, 79947}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{48275, 45666, 45717}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{513112, 498270, 563255}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{19755, 16664, 18045}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{110649, 105847, 100764}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{57542, 58101, 56430}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{150113, 146824, 140968}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{80043, 76261, 76238}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{18465, 15209, 1}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{314992, 287579, 284137}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{22502, 21901, 1}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{208983, 208077, 193894}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{35384, 36466, 31076}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{397301, 1, 370284}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{32733, 39455, 37753}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{805590, 787890, 747772}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{502799, 496637, 461799}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{935945, 893168, 869647}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{27051, 24947, 22620}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1415657, 1360827, 1308429}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1643821, 1593516, 1571129}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1148765, 1116481, 1064198}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1308248, 1275329, 1228414}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{18543, 19690, 1}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{693037, 688889, 670615}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{62654, 64483, 59597}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3470705, 3316391, 3108222}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{44339, 1, 44680}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{74267, 71289, 66463}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{55288, 53926, 51284}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{18078, 19151, 17026}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{68787, 70137, 65520}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{36302, 34466, 37612}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{74040, 71663, 67757}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{50088, 53854, 47535}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{17103, 12422, 1}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{21193, 19480, 1}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{21019, 16897, 1}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{15489, 12899, 13669}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{193341, 186352, 162419}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{689540, 678499, 660153}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{163543, 159191, 154122}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{1, 129321, 140461}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{135359, 1, 114528}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{30583, 1, 28994}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{52799, 55729, 45766}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{1, 106340, 83763}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{306265, 319667, 313776}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{1, 81911, 65738}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{332375, 315162, 1}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{107939, 113408, 1}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{39265, 111699, 1}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{1, 180322, 173318}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{35034, 31021, 40903}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{25054, 28463, 30226}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{115287, 111004, 108313}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{77554, 83424, 82209}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{169370, 165725, 159867}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{105083, 114397, 111567}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1843864, 1722579, 1817430}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{211484, 197034, 194448}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{57278, 50722, 56398}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{119056, 106927, 125334}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{1.3*^7, 1.22*^7, 1.16*^7}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{148104, 124296, 141684}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{151898, 126696, 181790}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{46988, 43318, 47326}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{79741, 72493, 101707}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{34193, 157178, 85188}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{119722, 166895, 130806}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{130616, 188990, 145134}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{268032, 415083, 311953}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{75006, 67045, 53590}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{1, 171921, 141881}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{279888, 47459, 45012}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{821351, 776372, 884067}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{274689, 280948, 297869}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1879632, 2093013, 1684327}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{24390, 43013, 24437}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{221062, 187824, 175083}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{178376, 179041, 168876}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{586286, 540229, 449472}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{146887, 138469, 121633}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{1, 35362, 1}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{93429, 68335, 64189}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{130494, 86382, 93104}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{28369, 17989, 23186}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{431989, 346898, 354737}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{25494, 18411, 17654}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{223445, 322928, 342649}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{27396, 37731, 26807}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8046645, 7194699, 6906271}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{72633, 1, 98809}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{134491, 124233, 151738}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{400928, 345053, 549820}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{97746, 96756, 128180}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{95909, 55533, 77580}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{268998, 243782, 256404}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{92925, 98678, 191474}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{45898, 39498, 45643}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2293438, 1, 1990047}, {"", ""}}, {135.9023, 0.60605717, "Meta"} -> 
    {{82220, 45178, 55816}, {"", ""}}, {283.9462, 0.6075714, "Meta"} -> 
    {{109461, 69984, 107687}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{492579, 524887, 527024}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{24017, 31423, 49889}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{54929, 1, 68300}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{1, 112229, 89275}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{103925, 131478, 136836}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{31092, 43252, 41243}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{16358, 20436, 20974}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{1, 87549, 1}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.13*^7, 1.05*^7, 1.12*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{20484, 23244, 25204}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{432605, 486600, 544065}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{575061, 549736, 494531}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{39412, 37247, 32374}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{87240, 80334, 79140}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{21994, 25123, 27301}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{689539, 593778, 628000}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{128583, 150736, 86045}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{20025, 24182, 24910}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{17415, 19774, 18955}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{20674, 19082, 25045}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{21077, 20926, 24007}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{13357, 12829, 11951}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{81804, 62775, 66332}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{34638, 1, 1}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{45077, 22917, 48821}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{23371, 1, 21189}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{144856, 135575, 119257}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{22008, 22116, 22503}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{143451, 85752, 171455}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{1, 120966, 137514}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{296364, 311774, 277373}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{202595, 209960, 175561}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{311675, 306044, 271322}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{110809, 106650, 94670}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{283570, 289876, 296250}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{1, 102554, 47960}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{363525, 328257, 339876}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{46276, 1, 32897}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{301496, 1, 196630}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{61236, 1, 1}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, overall=80.25, \
mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{346188, 305146, 340667}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{398509, 412649, 398008}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{4951751, 4597123, 4861251}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{99081, 101199, 56668}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{83358, 1, 70637}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{30500, 40488, 36681}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1619526, 2115179, 1918974}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{1, 125824, 115095}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{1, 49312, 52942}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{1, 77751, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.09*^7, 9972263, 1.05*^7}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{1, 225764, 1}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1, 844412, 819643}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{2573786, 2485542, 2429965}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{138707, 110620, 113436}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{153060, 137025, 159817}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{145458, 140010, 130950}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2441515, 2429600, 2421407}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{222137, 177770, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{139589, 119382, 113555}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{60504, 46943, 38929}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{4689882, 4167811, 4542441}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{1, 1, 165539}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{1, 60828, 67210}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{106310, 104671, 97065}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{136099, 131583, 132153}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{137227, 125447, 131372}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{31185, 1, 1}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{2.71*^7, 2.61*^7, 2.69*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{805575, 768719, 721806}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1007493, 1, 964315}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{185649, 180689, 219917}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{109754, 105675, 109162}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{62802, 1, 58831}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{79319, 77434, 78855}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{53858, 63715, 58263}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1009408, 1008876, 1046071}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{457148, 340031, 184893}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{317762, 302317, 322627}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{77072, 1, 79025}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{43179, 37099, 52848}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{22062, 21150, 20268}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{62211, 61638, 59599}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{18017, 18798, 18434}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{241473, 232766, 225834}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 1, 77979}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{490928, 401124, 314013}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{93955, 83937, 63258}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{70072, 69866, 49197}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{45166, 40575, 37631}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{48645, 44261, 44066}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{23806, 23874, 24553}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1491707, 1462083, 1452396}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{23153, 27181, 27315}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{168914, 156302, 159843}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{43860, 41801, 44637}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{23663, 25708, 21469}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{52261, 1, 1}, {"Isoquinoline N-oxide [ \
C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, KEGG ID=, CAS ID=1532-72-5 ]", 
      "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{113776, 266053, 173800}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{42937, 42684, 42299}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{33612, 33766, 32427}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{71369, 59431, 1}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{96744, 93422, 96240}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{55430, 39764, 57958}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{323703, 202220, 294495}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{432208, 399163, 423140}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{79319, 79284, 82559}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{193050, 176627, 188579}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{44601, 44415, 39787}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{76071, 74441, 77587}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{425080, 365770, 409263}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{129781, 117381, 124789}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{86253, 47946, 80927}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{23703, 32260, 33480}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{449422, 417433, 391171}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{40096, 35443, 35969}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{1302759, 1301366, 1234005}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{42128, 38172, 37107}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{340814, 337860, 338577}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{31633, 54381, 35489}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{331874, 602454, 389162}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{34429, 35571, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{227076, 401647, 168259}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{232683, 99208, 61347}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{95282, 115509, 114892}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{69999, 112968, 77303}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.41*^7, 2.18*^7, 1.49*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{29068, 1, 47804}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{87217, 142852, 103622}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{40134, 53278, 45005}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{758521, 757098, 709937}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{1, 28419, 27400}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{1, 12495, 18687}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{22967, 26569, 29268}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{20522, 19237, 19571}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{29635, 29043, 29199}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{68212, 73852, 72792}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{55161, 54506, 55761}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{19819, 26110, 23615}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{319267, 333898, 313025}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{63592, 93758, 63696}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{129996, 128838, 118306}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{249517, 254462, 252353}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{166100, 201957, 152776}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{164017, 146137, 181052}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{61254, 60741, 57649}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{57633, 47274, 45888}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{177001, 176305, 166296}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{20926, 24195, 20556}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{82106, 20974, 90493}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{116561, 139685, 115479}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{585811, 672292, 538844}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{205760, 188953, 188310}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{29243, 24297, 22941}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{56210, 15441, 78061}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{106852, 101093, 104476}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{85943, 27710, 93213}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{167032, 506955, 287080}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{26039, 27816, 28196}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{40979, 34423, 36614}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{158253, 145280, 154009}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{73471, 74141, 72510}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{18303, 16499, 15563}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{45043, 43637, 42284}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{146818, 274956, 128619}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{1, 187533, 155957}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{75855, 69392, 69304}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{164092, 143854, 141660}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{6987884, 6055989, 6638156}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{70850, 65967, 74384}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{262793, 239982, 267339}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{1917433, 1740736, 1827049}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{1079806, 953352, 1072926}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{303248, 282724, 314739}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{23574, 26555, 25625}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{37447, 36659, 37127}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{171351, 165601, 172132}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{20350, 18919, 18837}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{43856, 46602, 33591}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{495563, 504932, 376177}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{76409, 74953, 50867}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{478141, 571483, 363307}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{43407, 1, 36815}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{46213, 44158, 45781}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{86860, 148840, 139971}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{68892, 81039, 79846}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{230285, 183917, 129276}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{65248, 59272, 66875}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{89346, 89386, 89620}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{64099, 56321, 60950}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{1, 1, 1}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{57111, 60839, 45659}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{18806, 1, 18720}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{194124, 230713, 176359}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{1, 1, 1}, {"9-oxo-2E-decenoic acid [ C10 \
H16 O3, db=76.22, overall=76.39, mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {181.1102, 9.214113, "Meta"} -> {{158795, 151723, 153857}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, CAS ID= ]", ""}}, 
   {542.2727, 9.303111, "Meta"} -> {{110750, 82396, 78693}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{26594, 30652, 30714}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{1, 27175, 30295}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{55322, 37633, 42206}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{28069, 26034, 25736}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 26519, 1}, {"Tuberonic acid [ C12 H18 \
O4, db=70.37, overall=70.39, mfg=70.42, Lipid ID=LMFA02020007, KEGG ID= ]", 
      ""}}, {594.3415, 9.460033, "Meta"} -> {{14084, 1, 15284}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, mfg=91.75, HMP \
ID=HMDB04159, KEGG ID= ]", ""}}, {630.1262, 9.475205, "Meta"} -> 
    {{175110, 169296, 170250}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{48921, 65365, 98083}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{31521, 30895, 30899}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{400862, 407847, 385130}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{35084, 39960, 32597}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{134768, 182636, 134586}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{46545, 42948, 46861}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{87721, 85523, 88115}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{39782, 1, 47985}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{26150, 28075, 22414}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{91360, 91691, 89558}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{25444, 67376, 1}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1685385, 1687268, 1673744}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{40617, 47575, 38476}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{62127, 59657, 59971}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 10871, 12729}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{260326, 257990, 270477}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{20588, 1, 21551}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{1, 23356, 26009}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{339199, 339463, 325201}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{27812, 1, 1}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{366959, 493792, 355066}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{30814, 37693, 1}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{69666, 39209, 54802}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{90238, 93792, 94137}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{139771, 135309, 133210}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{49983, 50442, 55935}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{189450, 178857, 177594}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{84748, 78366, 77875}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{53675, 33173, 40766}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{40774, 36088, 34496}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{518517, 491038, 487260}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{32741, 33218, 31252}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{19795, 24554, 17391}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{19120, 18348, 15740}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{386445, 494411, 483191}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{86062, 84746, 90397}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{46189, 46025, 55018}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{182903, 72115, 105823}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{21654, 1, 18427}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{42046, 42950, 42255}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{4541670, 4531534, 4424772}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{14746, 12509, 14032}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{178125, 171278, 177248}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{32299, 39062, 30801}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{78807, 79484, 76421}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{180107, 175155, 188256}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{1, 1, 21514}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{18847, 19628, 21769}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{16536, 12759, 12480}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{11036, 13460, 14580}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{57059, 56092, 58730}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{39484, 37368, 32169}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{37813, 34775, 41326}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{58160, 60999, 59437}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{587499, 571399, 611611}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{30481, 30587, 28222}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{124170, 121501, 136310}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{56759, 54942, 52093}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{1, 1, 1}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", ""}}, 
   {228.1361, 10.230742, "Meta"} -> {{49532, 57219, 48837}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{354852, 367190, 362279}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{64176, 1, 69149}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{63651, 59463, 60492}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{41607, 40314, 37854}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{322036, 326990, 328485}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{15196, 29098, 26419}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{129943, 129308, 118147}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{286795, 102343, 294702}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{4640976, 978426, 1914811}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{893016, 193067, 380760}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{451951, 454135, 475345}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{46993, 47152, 42282}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{56742, 60475, 59778}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{40387, 32326, 39547}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{18390, 16797, 14554}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{31500, 24874, 24958}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{100134, 100674, 106332}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{38167, 37167, 35259}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{1, 11336, 1}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{102525, 93784, 93999}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{30483, 30354, 32347}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{33844, 30621, 32248}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{121224, 118313, 112100}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{17716, 1, 16151}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{25380, 23940, 23495}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{247374, 238710, 257722}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{27798, 26588, 26334}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{36644, 40698, 40143}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{18356, 20604, 15713}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{79671, 74561, 80467}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{27122, 1, 18919}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{38851, 32689, 48296}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{80228, 72063, 70367}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{38853, 30187, 1}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{30500, 29936, 28113}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{972655, 981169, 944086}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{41385, 42774, 39966}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{227624, 241558, 233234}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{170549, 185244, 136857}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{149193, 31691, 60383}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{45903, 46473, 42391}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{634507, 627580, 630851}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{285323, 112396, 512469}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{23332, 18493, 1}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{287988, 279314, 299804}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{27338, 25221, 25656}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{99542, 99064, 93192}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{172902, 169485, 166452}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{1, 1, 17124}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{102072, 107345, 107367}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{107605, 96981, 92412}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{601600, 488248, 366437}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{1, 19398, 1}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{44522, 23296, 31223}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{16709, 17908, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{150045, 200509, 148870}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{95222, 93175, 85455}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{202802, 205267, 215116}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{466640, 450299, 449076}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{85854, 37559, 53743}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{81421, 73589, 66572}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{57541, 54054, 58383}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{32392, 27758, 26271}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{81620, 103831, 96946}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{15714, 12621, 18120}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{35587, 24175, 1}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{98116, 98445, 94421}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{24460, 19016, 21685}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{44181, 51775, 44866}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{14269, 9977, 14548}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{1, 1, 1}, {"Jasmonic acid [ C12 H18 O3, \
db=61.94, overall=61.93, mfg=61.91, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {214.157, 11.168171, "Meta"} -> {{38247, 28505, 33605}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=80.52, overall=80.96, \
mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, {170.1306, 11.173029, "Meta"} -> 
    {{443883, 328518, 307577}, {"9-Decenoic acid [ C10 H18 O2, db=87.51, \
overall=87.51, mfg=87.52, KEGG ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, 
   {238.1568, 11.181779, "Meta"} -> {{17441, 1, 16698}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=61.13, \
overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{148390, 138966, 149757}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{606834, 512945, 640299}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{30959, 25126, 28456}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{16727, 20513, 20447}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{242015, 228665, 230723}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{19942, 18531, 25081}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{1, 11936, 14260}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{97091, 88674, 72987}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{61918, 63613, 55944}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{1, 134254, 157140}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{31682, 33743, 31897}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{25707, 1, 26706}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{1, 13199, 19557}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{34823, 35940, 46498}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1523058, 1735415, 2117165}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{15577, 20117, 19080}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{55632, 54149, 59861}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{21428, 1, 26923}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{597684, 573297, 558125}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{56317, 53104, 53173}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{91667, 76866, 77406}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{37839, 42437, 33490}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{34588, 50398, 41641}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{240448, 217777, 234902}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{33727, 28658, 32280}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{47560, 48557, 60337}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{26556, 20109, 26361}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{9707, 9704, 9600}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{71342, 75548, 79720}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{77258, 66394, 66695}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{2857043, 2777054, 2841654}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{43467, 40076, 39510}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{21622, 22020, 25308}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{1, 1, 1}, {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", 
      ""}}, {1189.1321, 11.39939, "Meta"} -> {{25779, 22970, 26887}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{61493, 61820, 61359}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{231508, 230031, 237373}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{34279, 36110, 31509}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{59313, 1, 1}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{29699, 36435, 29218}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{29000, 34565, 41454}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{158638, 152354, 154699}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{28697, 27335, 30267}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{48709, 52640, 45096}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{147319, 151847, 151369}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{118077, 113920, 115952}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{55677, 59791, 63749}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{72485, 70186, 80468}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{14059, 14946, 16830}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{261676, 244902, 250512}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{18819, 18016, 14768}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{44248, 37598, 39758}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{1, 25094, 23688}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ \
C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", ""}}, 
   {654.2299, 11.549442, "Meta"} -> {{108431, 83432, 82718}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{773321, 671552, 552662}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{58077, 42399, 42351}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{162114, 151816, 149403}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{142630, 139226, 143708}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{50890, 34428, 38189}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{47543, 36275, 47998}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{331965, 317853, 338729}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{34377, 27353, 45178}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{79768, 79198, 80804}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{13426, 15420, 14598}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{162969, 158953, 162368}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{76467, 83307, 80333}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{28617, 32274, 24876}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{118606, 94818, 114104}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{58606, 59612, 61169}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1608792, 1515171, 1521312}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{1, 24667, 24094}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{18530, 17288, 20200}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{99218, 89071, 97905}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{78385, 76884, 79122}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{32751, 26207, 29452}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{152777, 154419, 151513}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{244489, 247442, 225513}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{36685, 47216, 37411}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{55983, 53240, 53376}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1258275, 1284176, 1302604}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{84680, 84210, 89247}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{40704, 41157, 41364}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{543993, 533458, 523497}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{64926, 64845, 72962}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{38083, 16054, 36295}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{279984, 259389, 258416}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{32471, 27307, 30753}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{15734, 16438, 18224}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{55191, 57665, 56383}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{97246, 89364, 102218}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1515951, 1393059, 1512046}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{1, 82211, 81715}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=97.74, \
overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{35236, 35517, 33137}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{166597, 70489, 159472}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{41812, 42753, 45156}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{68970, 59412, 65291}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{152780, 88201, 144320}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{73738, 64878, 63940}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{17103, 16114, 16861}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{18470, 18745, 17320}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{317639, 242492, 244673}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 69550, 1}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{1, 23429, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{149853, 130685, 140368}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{24525, 22751, 25812}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{88075, 86849, 84074}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{16213, 19300, 14967}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{194603, 137297, 149856}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{1, 31173, 23013}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{343029, 312236, 310589}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{24651, 24990, 22566}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{38303, 43110, 38776}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{369693, 345833, 350008}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{30000, 28514, 28069}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{24755, 1, 26386}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{75436, 75426, 80921}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{217184, 208846, 223327}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{24360, 1, 23100}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{1, 128633, 113626}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{18348, 12232, 19948}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{23690, 24220, 63679}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{109892, 112275, 114156}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{15396, 16836, 18082}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{311253, 297354, 303189}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.59*^7, 2.5*^7, 2.45*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{299862, 309508, 299590}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{647882, 632650, 681836}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{61137, 71507, 67842}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{120873, 119369, 110228}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{27638, 24744, 25503}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{34233, 36861, 34346}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 23565, 20604}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{17513, 19155, 19855}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{101968, 100659, 100681}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{32292, 29946, 25556}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{21266, 22449, 26866}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{36248, 35753, 34257}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{42438, 45131, 43728}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{23823, 19581, 21836}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{263751, 242848, 253966}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{56082, 1, 47515}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{21420, 21934, 23859}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{38683, 30816, 39391}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{58548, 53259, 61902}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{59429, 65265, 53045}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{26560, 25767, 24866}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{480079, 484083, 481512}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{18565, 1, 19053}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{54417, 56123, 52074}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{36949, 33307, 33912}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{252887, 256642, 238793}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{77360, 75746, 74477}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{115093, 103889, 110759}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{38571, 1, 1}, {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", 
      ""}}, {498.3181, 12.159394, "Meta"} -> {{34043, 28658, 34576}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{21849, 19375, 21163}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{55450, 48114, 42713}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{62861, 16607, 75950}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1842892, 1737836, 1766372}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{203202, 205812, 204379}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{35019, 37707, 34431}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{143080, 154246, 144879}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{128047, 117061, 122050}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{83394, 74620, 73096}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{62484, 62219, 58625}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{34700, 34644, 33281}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{122701, 125893, 123036}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{33236, 30027, 29770}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2737359, 2682460, 2668163}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{28189, 24517, 27495}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{1, 1, 29569}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{21313, 20281, 21568}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{193886, 182756, 190404}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{180550, 190679, 194701}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{648340, 637510, 641624}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{20197, 25301, 23071}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{57009, 64159, 59549}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{63364, 54754, 75690}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{48017, 46465, 51062}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{172748, 159664, 163502}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{160585, 168457, 155405}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{63041, 58503, 54990}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{148680, 76693, 192849}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{20852, 25685, 25083}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{1, 18186, 20214}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{284214, 286589, 268290}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{54058, 53703, 47971}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{53732, 1, 56666}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{1, 27004, 25133}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{29592, 28811, 1}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{33958, 40999, 41319}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{30438, 31816, 32291}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{48512, 43089, 48208}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{65676, 56060, 64240}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{37406, 1, 36859}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{1, 16820, 76066}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{54188, 55549, 56676}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{71924, 65406, 66541}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{243274, 229017, 254937}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{547901, 521193, 557785}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{57946, 46265, 52657}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{43566, 92074, 1}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{26805, 26121, 26279}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{84911, 67566, 89726}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{245570, 248006, 283137}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{18118, 1, 1}, {"17a-Ethynylestradiol \
6-glucuronide [ C26 H32 O9, db=30.98, overall=15.49, KEGG ID=, CAS ID= ]", 
      ""}}, {504.3295, 12.476778, "Meta"} -> {{13346, 25924, 15633}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{410963, 376493, 381171}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{35768, 28794, 30629}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{83500, 84705, 84721}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{97903, 95698, 99706}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{106116, 104558, 108604}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{67269, 75395, 58778}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{8283993, 7688235, 7727873}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{247526, 250208, 252260}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{29761, 32309, 30473}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{66103, 72789, 64982}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{25173, 23322, 22972}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{44175, 42148, 38126}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{35436, 32142, 33745}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{2945011, 2842210, 2829894}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{21169, 24567, 21217}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{40742, 43431, 35221}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{32538, 32914, 33980}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{41134, 41311, 41591}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{19629, 18744, 21633}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{25868, 28947, 24398}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{135172, 143169, 138385}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{22883, 30157, 33756}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{243280, 142779, 295533}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{54793, 73629, 83402}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{174542, 164046, 168720}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{16123, 12413, 1}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{34609, 24384, 34191}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{109435, 93708, 85846}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{374201, 364837, 376729}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{38982, 37719, 42816}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{26611, 25207, 23939}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{81460, 79274, 82972}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{45435, 45406, 37105}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{1, 29290, 1}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{56499, 53710, 47534}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{390365, 387878, 380414}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{17133, 19365, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{52053, 48673, 69395}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{1, 14671, 14187}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{164303, 132379, 143983}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{1, 28014, 27906}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{20952, 23847, 23917}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{2556842, 2433848, 2512743}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{22807, 17731, 20941}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{42291, 38946, 37956}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{27009, 24044, 26691}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{129547, 132627, 123194}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{1, 26604, 23949}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{33298, 24495, 36201}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{32100, 51145, 25234}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{21047, 19660, 18861}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{26322, 31666, 31606}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{110462, 123223, 102148}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{139317, 129496, 132545}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{179213, 161989, 162268}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{87645, 95386, 95872}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{47554, 45995, 39671}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{528714, 522106, 516270}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{59025, 61086, 56305}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{40633, 31481, 31314}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{104368, 103583, 106581}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{1, 31226, 34828}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{220491, 179388, 184997}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{386033, 354874, 354667}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{170311, 120626, 186628}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{2316764, 1380788, 2845898}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{114402, 113341, 98380}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{36954, 32021, 39538}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{285835, 330456, 293425}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{49790, 48684, 54820}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{181213, 129626, 236708}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{288933, 282202, 48638}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{15414, 112164, 126751}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{508045, 346786, 619751}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{1, 11326, 10930}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{227344, 229500, 213060}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{570704, 360476, 1}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{53062, 48477, 48687}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{126167, 132947, 117933}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{13422, 15871, 14092}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{28916, 39518, 23831}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{307928, 280162, 278131}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{480633, 515840, 400556}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{515167, 494796, 409138}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{192458, 141623, 170894}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{312941, 329483, 293161}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{113636, 112553, 107995}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{233692, 225117, 239666}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{63985, 55956, 59101}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{376009, 229786, 454196}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{1, 143610, 98619}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{1, 1, 1}, {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", 
      ""}}, {598.3709, 12.731129, "Meta"} -> {{1, 40269, 1}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{1, 20808, 1}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{80891, 83271, 57268}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{573609, 540794, 521444}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{20558, 28931, 21444}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{311533, 278214, 272124}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{37482, 31446, 35340}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{32516, 33473, 27564}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{1352015, 898837, 1571804}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{141989, 125890, 133209}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{46655, 41835, 46095}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{2898731, 1777950, 3343574}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{246288, 210877, 263485}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{27003, 21800, 25691}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{202207, 114411, 215623}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{54763, 50150, 43554}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{47033, 40619, 21241}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{215887, 201268, 231398}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{120328, 82211, 132060}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{37183, 34615, 29602}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{365942, 338305, 323751}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{64213, 56497, 61206}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{422754, 282944, 471696}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{25546, 22818, 30468}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{3613128, 2630977, 3722943}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{454345, 361561, 495997}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{17819, 1, 16665}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{22347, 24180, 28224}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{52409, 49370, 46520}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{136468, 85440, 141926}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{145632, 121058, 134166}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{108147, 105737, 190002}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{63950, 63766, 59023}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{3645654, 2440480, 4567283}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{83782, 71575, 85612}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{26857, 31085, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{135501, 164782, 12546}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{623604, 484252, 730910}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{20753, 1, 1}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{147526, 140123, 151484}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{239186, 205095, 244828}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{1.96*^7, 1.83*^7, 1.67*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{158888, 173247, 117523}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{602497, 654825, 507052}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{31115, 42283, 13431}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{109189, 142702, 82470}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{18027, 28713, 1}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{59664, 56192, 55699}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{1, 21066, 1}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{60235, 55899, 50537}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{59353, 72828, 80594}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{39015, 1, 34977}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{32672, 1, 34537}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{27850, 37850, 26793}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{35728, 39859, 25617}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{13649, 14832, 14187}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{14011, 16004, 15450}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{1130194, 1144841, 1412976}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{146469, 147708, 141298}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{27492, 25973, 23139}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{60363, 9503, 14149}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{27014, 42014, 26604}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{174584, 101368, 86131}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{61203, 147403, 62045}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{24052, 43131, 18518}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{25354, 27390, 16389}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{535915, 569959, 472267}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{13276, 18173, 1}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{49412, 66311, 20013}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{47416, 43054, 1}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{92292, 109376, 73080}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{509688, 480536, 483605}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{175878, 125144, 212583}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{176231, 174832, 190869}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{343913, 430844, 331993}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{902517, 926670, 818243}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{92802, 95015, 89831}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{137650, 137284, 124295}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{3289405, 3706936, 3630434}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{40582, 35310, 40800}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{4237830, 14084, 4466476}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{38574, 50525, 44334}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{20926, 25165, 18189}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{79420, 77631, 69250}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{64974, 69342, 64740}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{1, 34054, 1}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, db=60.10, \
overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{594446, 665840, 596033}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{150971, 189092, 142404}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{48573, 49849, 60887}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{24919, 25202, 1}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{157761, 128382, 154235}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1354695, 1511927, 1421407}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{1, 25630, 1}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{127521, 130356, 105310}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{641253, 574028, 626132}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{396763, 373698, 480429}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{82018, 81679, 72204}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{60818, 85852, 59305}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{81141, 67655, 76840}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{2004328, 1804526, 2034167}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{76894, 80462, 75190}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{93304, 98315, 71927}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{26381, 31382, 26955}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{338714, 271616, 361806}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{73733, 76733, 60855}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{1, 19562, 1}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{84164, 83753, 68935}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{35797, 45924, 28211}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{457553, 509831, 360011}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{378942, 300222, 392435}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{21450, 16715, 12021}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{18386, 19119, 14703}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{66029, 65690, 54896}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{206985, 216246, 183489}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{213077, 192845, 148636}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{38405, 41687, 25096}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{51135, 36029, 28602}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{53340, 57104, 38528}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{54149, 50394, 59612}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{1, 13707, 1}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{380921, 325357, 332954}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{117622, 109730, 115674}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{456420, 429470, 405838}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{5456938, 4264218, 6093000}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{69702, 68540, 59628}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{100604, 91655, 93520}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{171047, 164321, 151127}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{5501317, 3877575, 6350340}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2296207, 2263598, 2093738}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{98073, 86470, 90307}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{39567, 43713, 30405}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{2315529, 1507951, 2687153}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{92436, 47951, 32774}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1.02*^7, 9620354, 9898678}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{57288, 42828, 58206}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{876730, 733519, 828457}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{123531, 96032, 106432}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{39964, 32817, 32895}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{159880, 129770, 157381}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{158054, 189568, 120594}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{115424, 77065, 128336}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{60235, 85879, 58883}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1488122, 1308421, 1419789}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{11001, 68964, 52036}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3135317, 2976650, 2513045}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{404819, 429842, 459721}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{37439, 40420, 30441}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{1, 13934, 1}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{56640, 54419, 44410}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{142696, 81750, 147196}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{968291, 938907, 593106}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{871240, 620257, 906158}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{91971, 188280, 1}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{494094, 500573, 460249}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{207863, 182898, 138574}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{519055, 507898, 574546}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{89309, 99399, 74393}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{41074, 37070, 39221}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{2955150, 3357712, 2574159}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{319665, 361236, 272174}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{53248, 60162, 49180}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{54052, 19486, 20037}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{396381, 495983, 309976}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{895969, 916877, 802108}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{196931, 265635, 163742}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{118288, 71375, 111988}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{230732, 303059, 259858}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{78898, 42354, 77779}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{302755, 296604, 282755}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{237225, 227067, 219303}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{1, 1, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{60697, 64455, 54032}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{75417, 74407, 57918}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{55473, 52810, 38578}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{62212, 57745, 47618}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{75224, 62312, 71537}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{172342, 136806, 147820}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{19041, 18510, 18303}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{42047, 38124, 31572}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{173974, 160369, 206325}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{48483, 54938, 42683}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1311316, 1072895, 1462155}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{282535, 205314, 339993}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{129271, 103869, 138931}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{130569, 116070, 124476}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{29516, 30088, 37067}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{77982, 77648, 70898}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{13926, 14547, 11804}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{37430, 35771, 34079}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{91968, 99011, 85970}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{37861, 30841, 32613}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{105657, 96097, 96880}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{16807, 22609, 15518}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{1, 1, 1}, {"3-pentadecynoic acid [ C15 \
H26 O2, db=79.27, overall=79.45, mfg=79.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1491.9482, 13.177334, "Meta"} -> {{60193, 62817, 57016}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{72486, 73973, 66996}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{43251, 37107, 32996}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{107178, 75476, 120401}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{41409, 30500, 41591}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{270480, 284611, 233169}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{1, 11565, 1}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{4038447, 3927747, 4387181}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{76263, 81612, 67431}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{575599, 510038, 659102}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1486911, 1481748, 1311010}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{726357, 750125, 883640}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3192990, 3185734, 2706318}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{70000, 72779, 81639}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.3*^7, 1.25*^7, 1.19*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{803155, 655207, 918451}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{23152, 21982, 24793}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{262855, 244252, 257565}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{442711, 374040, 321114}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{18690, 15766, 17045}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{1, 69981, 60781}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{54440, 457392, 370799}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, \
db=98.67, overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{193516, 163132, 225132}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{46930, 48556, 37527}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{21091, 24983, 1}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{34114, 40942, 60268}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{1, 63673, 47128}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{132812, 126837, 109377}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{93785, 88542, 89366}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{26565, 23595, 22694}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{527594, 433207, 384247}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{330428, 270395, 369935}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{20192, 17449, 17581}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{52537, 44795, 44979}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{448214, 432605, 394374}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{1048508, 1008337, 981312}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{230467, 156835, 238636}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{90441, 88568, 75970}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{3172471, 3013151, 3315737}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{431152, 375105, 469481}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{83853, 86293, 82832}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{49159, 1, 39282}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{172197, 153492, 122595}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{217556, 217844, 191274}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{70767, 60189, 64907}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{114802, 119533, 88534}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{54164, 27066, 48579}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{65453, 66292, 71154}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{508922, 470792, 324549}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{69354, 64976, 62416}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{300136, 289238, 282186}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{53929, 54048, 39025}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{29934, 35254, 18055}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{41537, 45559, 29904}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{38700, 38686, 35489}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{160971, 145856, 149535}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{178706, 182189, 142075}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{36008, 33415, 31712}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{646712, 629492, 651668}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{76520, 71716, 70934}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{96513, 114130, 84570}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{4876761, 4212245, 5186777}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{12218, 14527, 9242}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{206237, 166773, 206707}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{21511, 21949, 17019}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{102211, 76014, 80596}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{158046, 145370, 114025}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{44199, 51848, 39108}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{1, 16098, 12865}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", 
      ""}}, {492.3272, 13.347747, "Meta"} -> {{79190, 86240, 69400}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{95377, 103894, 83055}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{25707, 27185, 1}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{166121, 122195, 150077}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{86251, 86499, 128803}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{222487, 224429, 159661}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{495413, 471977, 438582}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{35877, 28957, 76681}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{99474, 139265, 123425}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{56054, 254566, 283990}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{94487, 192177, 98316}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{38494, 35525, 25902}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{1870686, 3122005, 2228412}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.31*^7, 1.19*^7, 1.25*^7}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{92823, 90431, 78587}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{31712, 29990, 27464}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{51142, 75910, 55173}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{105336, 103098, 115778}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{25146, 31856, 28703}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{52220, 49797, 40853}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1601880, 1799652, 2012761}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{56269, 92097, 83381}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{172025, 201457, 158746}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{1, 92508, 91639}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{185513, 232390, 200196}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{87146, 83995, 82319}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{356904, 348083, 361823}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{83650, 70602, 61102}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{513828, 501909, 487433}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{392369, 352656, 377062}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{243986, 205166, 237667}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{216003, 201029, 188719}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{193972, 191993, 232632}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{122938, 132009, 117413}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{683247, 606852, 594638}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{42945, 43495, 39032}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{35401, 30142, 25709}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{97939, 92196, 105138}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{39627, 34681, 28847}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.24*^7, 1.19*^7, 1.15*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{56249, 52158, 40983}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1801154, 1697561, 1589922}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{20566, 22183, 18220}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{16651, 17359, 11799}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{84445, 77463, 65572}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1448727, 1427436, 1279215}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{63310, 20657, 79074}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{42330, 39374, 35614}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{101718, 100103, 90165}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{55335, 71887, 55929}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{81484, 88859, 72413}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{38829, 38118, 34648}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{76303, 73213, 73804}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{1, 154547, 103972}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{86102, 77937, 67123}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{105833, 87252, 144634}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{35421, 32272, 28058}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{25302, 26325, 23891}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1851880, 1946474, 1842370}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{54246, 52397, 59458}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{135322, 185525, 159859}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{70709, 75820, 70297}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{22600, 20560, 20144}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{100690, 100020, 92933}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{43578, 71295, 56304}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{74122, 63068, 73260}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{227773, 225276, 232568}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{70847, 77251, 74109}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{35262, 29699, 29703}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{205137, 199237, 189685}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{74756, 65609, 20566}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{1, 468112, 468858}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{22010, 23020, 24698}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{757814, 778238, 754476}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{57205, 52799, 61790}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{37514, 24952, 29787}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{390163, 366224, 368133}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{17343, 20921, 1}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{42549, 40072, 47650}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{64517, 62452, 63725}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{180398, 152853, 194925}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{833039, 740609, 879383}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{93512, 66563, 95791}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{96121, 97452, 100969}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{278953, 270248, 264246}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{295193, 249825, 294736}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1585434, 1504166, 1445598}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{103549, 89937, 63913}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{33230, 34965, 35169}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{54615, 47373, 41648}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{34354, 99939, 30938}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{54595, 89093, 72876}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{3731702, 3146867, 3701247}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{448101, 474159, 481480}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{220247, 177281, 258237}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{23651, 35911, 27901}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{217121, 210532, 253294}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{836073, 759184, 928714}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{50581, 50977, 52400}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{1, 1, 1}, {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", 
      ""}}, {757.561, 13.55539, "Meta"} -> {{31191, 25998, 24167}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{263745, 218732, 256129}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{47146, 42442, 33956}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{29151, 28835, 25490}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{85907, 184886, 177286}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{90856, 67628, 81410}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{39543, 48611, 47972}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{53776, 51211, 54038}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1250953, 1138172, 1280685}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{28030, 34408, 29910}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{108447, 102206, 86477}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{3469989, 3992086, 3229544}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{15351, 1, 1}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{1, 11305, 1}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{366147, 440220, 320033}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1, 1261204, 1}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{30913, 33553, 28764}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{70328, 60530, 62069}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{22752, 23749, 22540}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{62252, 62254, 65331}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{105237, 99923, 98211}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.22*^7, 1.22*^7, 1.18*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{1734286, 595750, 805543}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{28698, 1, 25480}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1304156, 1320211, 1177363}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{57719, 98075, 106998}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{118042, 72440, 94138}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{41843, 42485, 1}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{37656, 63736, 33934}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{57956, 82141, 68956}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1130611, 1294706, 1187773}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{116327, 108366, 105256}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{174790, 105213, 163919}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{1, 1, 102594}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{14409, 15213, 14197}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{70504, 76042, 68739}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{640333, 695546, 667158}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{28124, 27707, 23930}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{38358, 47949, 1}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{985985, 890692, 1030550}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{38613, 53332, 58725}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{792265, 737827, 770205}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{146343, 134466, 148970}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{24032, 25489, 23740}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{66159, 72056, 80252}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{68029, 42243, 52613}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{46782, 47348, 46447}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{89438, 84657, 94662}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{2507786, 2239417, 2281233}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{458419, 387923, 358453}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{245816, 222884, 243741}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{352893, 349979, 380761}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{39866, 39418, 65576}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{116574, 143123, 112352}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{40612, 33250, 34088}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2008282, 1876719, 1953343}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{43978, 41894, 44721}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{1, 1, 32108}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{1, 29782, 40977}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{93747, 97424, 90298}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{147167, 165555, 154164}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{16962, 18323, 21712}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{28260, 26325, 25231}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{215497, 200362, 195693}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{76086, 66500, 72012}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{65923, 1, 69769}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.54*^7, 1.54*^7, 1.49*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{60519, 49313, 58068}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{64446, 80144, 57861}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{70021, 74536, 66738}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{90346, 92818, 92868}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{34189, 32465, 29744}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{256891, 224475, 225308}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{24695, 23172, 23232}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{45224, 54991, 42659}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1373727, 1336355, 1290731}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{148524, 146210, 156547}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{18909, 1, 26553}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{108798, 102557, 87420}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1694111, 1596974, 1462432}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{108733, 104816, 1}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{203064, 207649, 215372}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{40609, 34925, 39964}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{79358, 83512, 68403}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{1, 48258, 1}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{236939, 225216, 221983}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{61883, 67095, 75670}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{55848, 41080, 50956}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{34769, 32180, 40751}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{52625, 47852, 52693}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{1055616, 920633, 1025330}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{16634, 17522, 19496}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{1, 146846, 272831}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{154215, 150421, 147176}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{61781, 56162, 61578}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{89378, 85169, 92790}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{20842, 21045, 17888}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{307697, 308523, 290210}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1855486, 1814136, 1722953}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{40969, 22454, 1}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{23698, 29749, 28337}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{41399, 51503, 31172}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{66025, 39576, 56545}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{35143, 29602, 54363}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1856550, 1750596, 1655010}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{31842, 29396, 28409}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{18743, 20791, 26105}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{593486, 610339, 581553}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{42148, 65579, 44927}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{112586, 124558, 87447}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{97495, 89874, 104143}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{61567, 53942, 60591}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{23041, 28527, 27662}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{6163608, 6740256, 6813964}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{206413, 266604, 197085}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{52666, 52594, 51433}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{22576, 22469, 25693}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{1, 50186, 43484}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{154266, 190020, 177241}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{64508, 39397, 27956}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{233232, 236856, 226213}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{387721, 460370, 429075}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{85100, 57979, 48619}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{107960, 98711, 97892}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{48053, 49525, 41414}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{20292, 21246, 18543}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{491840, 499685, 552635}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{19684, 19544, 16831}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{83624, 76810, 80840}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{968981, 868743, 902118}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{31606, 22734, 23739}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{65235, 38451, 35007}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1485712, 1430896, 1439216}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{119188, 121156, 109480}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{8949810, 8215678, 8397457}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1471970, 1228570, 1189098}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{118797, 152048, 129517}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{45305, 29981, 25579}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{210567, 186496, 194987}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{23824, 19364, 18007}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{157005, 105787, 101957}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{104050, 96479, 48630}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{32057, 28909, 39361}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{99014, 143525, 155941}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{309883, 303338, 296982}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{87995, 92539, 85708}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1754016, 1605348, 1608084}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{44833, 41674, 42551}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{64510, 56480, 63356}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{41906, 37378, 37040}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1594620, 1501308, 1447655}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{88042, 77357, 75398}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{149383, 134381, 135532}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{142788, 146085, 108940}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{16403, 14209, 11290}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{71967, 87076, 90685}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{24085, 21182, 21392}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{19016, 20027, 19643}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{156163, 137642, 145575}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{762303, 703886, 726199}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{169643, 161866, 135299}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{38062, 32126, 30894}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{33426, 31791, 30082}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1694074, 1572305, 1596231}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5517029, 5200669, 5263982}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{211056, 109102, 84636}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{67111, 104990, 121948}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{753168, 16206, 20918}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{76467, 77567, 64820}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{205707, 204209, 258298}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{73571, 113779, 93316}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{87933, 95960, 87916}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{28111, 22304, 18995}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{20463, 25350, 21405}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{27670, 33878, 26155}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{108875, 89343, 107793}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{380017, 408970, 320547}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.27*^7, 2.35*^7, 2.04*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{233759, 237833, 204236}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{34499, 1, 23029}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{719953, 729435, 625506}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{6520245, 6737285, 5912271}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{22525, 24328, 18142}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{85907, 82391, 71004}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{276513, 238344, 310456}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{62895, 64983, 50391}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{265406, 265687, 220044}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{79307, 78169, 63976}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{28457, 26988, 25966}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{153795, 138916, 131096}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{28968, 32530, 30932}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{34339, 29432, 31780}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{78889, 80297, 68551}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{54370, 53015, 52938}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{272434, 270312, 265578}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{116559, 109526, 98191}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{741570, 682651, 663337}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2121096, 1965962, 1880848}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{3022561, 2766301, 2945115}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{194940, 193890, 198758}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{168822, 153338, 176089}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{1, 128896, 120461}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{29502, 22138, 21009}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{58022, 44700, 40730}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{3783205, 3328762, 3611961}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{168570, 135623, 276259}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{296876, 239891, 209730}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{183716, 161591, 203038}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{2321378, 2010896, 2319003}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{93561, 1, 92072}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{617370, 547331, 564482}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{1, 68353, 64079}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{57648, 58361, 61792}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{165406, 142124, 164035}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{1, 54795, 1}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{162603, 201595, 18570}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1743745, 1680989, 1586937}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{116829, 110986, 1}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{187302, 208658, 196910}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{533588, 502008, 499907}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{3137135, 3011604, 2960214}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{199472, 195103, 202203}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{19277, 12999, 1}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{96256, 78729, 80657}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{190409, 179981, 181008}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{64689, 60743, 66566}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{149150, 150857, 145990}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{145409, 226165, 171736}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{29185, 40871, 32863}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{17763, 2019670, 2028594}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{621452, 818245, 702091}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{27390, 28338, 28297}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{36118, 35688, 36369}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{11528, 23385, 20319}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2333304, 2165420, 2048729}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{692724, 614168, 661305}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{24313, 36938, 32021}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{1, 17574, 13474}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{1, 18860, 18834}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{112965, 168358, 141057}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{33236, 47508, 41255}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{28362, 32280, 32043}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{24667, 36350, 34250}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{1, 23202, 19538}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{216787, 201869, 202666}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{193968, 216470, 266565}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{76640, 1, 68815}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 21351, 1}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{64597, 71152, 67794}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{16020, 20366, 20357}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{14033, 17560, 15462}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{256561, 369422, 274408}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{63280, 1, 71976}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{24620, 45220, 45023}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{277931, 294295, 299202}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{132040, 128503, 128299}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{77831, 75574, 83360}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{38764, 1, 12330}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{43674, 41415, 44550}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{101798, 78332, 96893}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{222034, 236970, 281872}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{44541, 40354, 37052}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1731728, 1922156, 2271767}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{88034, 95170, 95341}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{277888, 326627, 341393}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{55792, 56680, 66453}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{117019, 100618, 99200}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{30786, 29301, 33171}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{491808, 515406, 611767}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{89282, 125022, 120360}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{54043, 63316, 43319}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{41675, 41708, 36476}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{19812, 23914, 33808}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{177120, 1, 201550}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{123496, 90920, 104309}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{293899, 323657, 365091}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{299576, 294005, 299161}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1174013, 997029, 1125728}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{101522, 112759, 108270}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{201617, 211219, 150043}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{92019, 112277, 82429}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{580834, 597504, 586493}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{343990, 296870, 299887}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1225584, 1117027, 1127111}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2236438, 2366532, 1784697}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{829703, 737827, 727353}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{108014, 82141, 92951}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{80688, 59795, 67770}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{732526, 696144, 696428}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{54387, 30924, 39106}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{361966, 379258, 381503}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{48413, 50636, 49464}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{54231, 34276, 29651}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{201126, 187751, 186534}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{54011, 1, 59145}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{33749, 19810, 15017}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{72768, 67631, 71144}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{599459, 471098, 566070}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{5.83*^7, 5.63*^7, 5.75*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{67204, 57598, 67122}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{75488, 65303, 1}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{67982, 67689, 77145}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{18569, 13880, 15699}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{110248, 74089, 77096}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{60172, 41614, 32698}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{184792, 176201, 186596}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{37196, 35581, 37628}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{24240, 28226, 28324}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{28550, 33051, 36406}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{73438, 76727, 80969}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{115619, 107427, 104048}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{283972, 258578, 253505}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{58580, 63552, 66578}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3142271, 3190844, 3196510}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{28514, 23216, 28868}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{77120, 91427, 82655}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{41319, 27428, 21230}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{38240, 24010, 1}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{40193, 44530, 1}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{14857, 19023, 15319}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{45340, 46904, 39379}, 
     {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{48791, 55316, 51966}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{114992, 150041, 102293}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{93164, 110978, 92400}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{209426, 188051, 230350}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{83417, 91000, 67889}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{1, 29981, 33451}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{76059, 87478, 67286}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{78379, 83751, 71150}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{5347780, 6289080, 5090221}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{23356, 23454, 24394}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{927092, 981249, 924110}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{112667, 111744, 145379}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{985870, 719806, 281634}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{135285, 130207, 1}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{240933, 269956, 201738}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{82202, 28396, 17710}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{56379, 57515, 46298}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{41097, 48523, 40028}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1350980, 1431206, 1586639}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{78890, 93808, 71669}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{249399, 211253, 248467}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{81399, 55726, 68523}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{44863, 47854, 30332}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{507234, 68521, 419441}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{48402, 44972, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{85528, 74734, 75205}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{85173, 79409, 87967}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{107880, 131514, 116742}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{454566, 451109, 454757}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{169557, 76612, 85052}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{34061, 27551, 27822}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{989849, 876885, 851795}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{110515, 45797, 53724}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{4247199, 1803740, 1944699}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{60773, 50059, 61124}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{136656, 135346, 113982}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{38570, 34240, 32620}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{254596, 246684, 253083}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{309391, 331694, 395613}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{208487, 215150, 225626}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{195789, 193287, 187103}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{784152, 701425, 651136}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{688317, 685942, 683109}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{311023, 324591, 1}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{57073, 30338, 84845}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{5523065, 4692424, 4880013}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{68552, 80721, 96482}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{50202, 43809, 55856}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{641796, 685148, 868812}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{46161, 1160274, 1086193}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{410847, 386187, 432833}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{103289, 112698, 104885}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{108141, 69704, 51368}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1019537, 1029994, 1009394}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{631049, 616847, 620164}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{23892, 23074, 24020}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{48804, 27924, 21321}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{32615, 32950, 40562}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{24155, 23577, 28560}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{65864, 51312, 55216}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{144331, 140354, 135459}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{25496, 37387, 31950}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{8.91*^7, 8.7*^7, 1}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{64017, 49238, 40991}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{1, 27090, 21586}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{24542, 1, 16078}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{62651, 111752, 131880}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{56078, 60735, 55914}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{12116, 13863, 14139}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{37355, 34067, 32356}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{118899, 112624, 120008}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{16887, 23855, 20636}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{109775, 109155, 110942}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{37546, 1, 26737}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{436454, 515151, 510955}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{137836, 130564, 152031}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{23713, 1, 33588}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{15381, 19723, 18611}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{9115, 8417, 1}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{90219, 81782, 88212}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{71137, 61425, 58057}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{206387, 229366, 234500}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2793905, 2531392, 2518920}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{907876, 898317, 897803}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{33023, 34906, 118211}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{25098, 40795, 28265}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{24525, 28339, 26946}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{396477, 334459, 363987}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{35565, 1, 43214}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{41362, 19226, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{119579, 201459, 142679}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{25435, 25594, 30345}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{16857, 53236, 18380}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{292822, 1, 307909}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{25202, 22808, 24414}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{28328, 44526, 24003}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{50186, 46754, 46270}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{327218, 328813, 319176}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{70862, 1, 67264}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{54561, 67179, 76524}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{107104, 95690, 99283}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{49935, 44749, 50655}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.16*^7, 1.09*^7, 1.04*^7}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{134307, 133752, 136305}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{436303, 261580, 189691}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{203182, 196231, 188622}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{2289373, 2218224, 2101934}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{2.19*^7, 2.12*^7, 2.01*^7}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{69672, 53059, 61670}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1172669, 1103463, 980627}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{128455, 149148, 122574}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{4685416, 4351466, 4088492}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{48376, 43824, 40719}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{166665, 169613, 168347}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{933099, 788767, 821824}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{1.18*^7, 1.05*^7, 1.06*^7}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{60904, 59335, 49478}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{108539, 115811, 141985}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{396065, 481289, 398871}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{829176, 783117, 833620}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{231413, 245466, 272262}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{113530, 102830, 97903}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{17544, 17785, 13321}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{79151, 74645, 85600}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2049118, 1952119, 1920859}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{187256, 156350, 144514}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{15632, 1, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{197187, 176232, 172362}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{70021, 108689, 61208}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{90658, 141572, 123465}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{33629, 39216, 29488}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{140588, 101886, 1}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{38212, 24366, 48060}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{24089, 21470, 22699}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1879959, 1727161, 1750266}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{666347, 661696, 588578}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{134327, 123547, 120545}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{73124, 71383, 84634}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{1, 64640, 67218}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4741425, 4501857, 4670126}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{178382, 145407, 186840}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{50743, 52385, 45015}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3493284, 3699571, 3665515}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{602892, 373091, 561552}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{98141, 123020, 83605}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{22101, 22420, 22138}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{70778, 253583, 73354}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{342172, 327278, 319029}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{451126, 466579, 234131}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{25971, 22529, 34066}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{258557, 239935, 247059}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{46569, 42836, 44714}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{191926, 190848, 206911}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{27127, 38817, 29823}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{27767, 24321, 26553}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{339064, 359415, 382669}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{362038, 329158, 448662}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{45828, 40163, 41823}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{280457, 174141, 292577}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{68108, 60977, 54061}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{59076, 49270, 69045}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{71780, 78429, 84057}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{105286, 58997, 111726}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{202533, 223441, 193977}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{29987, 39538, 30860}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{1, 130304, 132424}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{3146254, 2978978, 3031883}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{155466, 133373, 126782}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{43180, 43269, 48980}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{451601, 396737, 388693}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{1, 1, 21528}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{330801, 321169, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{574601, 521192, 527334}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{19892, 25692, 21776}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{66648, 145456, 1}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6902255, 7153290, 7468139}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{260786, 263504, 268359}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{1, 47091, 68674}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{39123, 1, 35022}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{67240, 104291, 98745}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{501428, 580444, 812801}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{95571, 107360, 61036}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{103376, 115585, 105348}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{143760, 145978, 145679}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{73936, 84230, 83723}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1194892, 1086099, 1133175}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{96325, 100997, 115019}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{400597, 381274, 390837}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{54836, 1, 40483}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{1, 26408, 26001}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{126884, 140495, 121716}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{405032, 539859, 552428}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{106251, 113152, 109384}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{100262, 93249, 94590}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{5335825, 5731662, 5950787}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{97801, 190904, 146074}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{111356, 107802, 87002}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{3121447, 3412033, 3380704}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{38311, 36130, 36138}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{387030, 1, 419494}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{32908, 39996, 35096}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{73538, 66807, 74294}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{57581, 1, 49732}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 \
O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{372442, 421477, 370050}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{22664, 22888, 30696}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{428235, 419300, 1}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{577952, 582106, 631234}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{7289568, 7683939, 8334337}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{39592, 386045, 120382}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{45810, 95198, 49840}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{714686, 783606, 819216}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{36797, 26971, 1}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{212653, 159750, 178247}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{35338, 38677, 30503}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{473093, 896368, 478436}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{171178, 192351, 165411}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{125101, 107234, 69549}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{4451535, 3696518, 3362759}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{92452, 91752, 68437}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{118308, 114517, 116637}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{502487, 483675, 535668}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{894010, 1012663, 904932}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{40257, 42281, 40290}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{149833, 135762, 134428}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{294035, 1, 302575}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{78521, 60093, 57495}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{24755, 18694, 23993}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{332322, 230762, 1}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{25805, 22524, 24860}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{134171, 103677, 76703}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{26785, 25564, 26919}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{124753, 132936, 119183}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{27770, 45640, 34833}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{642981, 720963, 635937}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{21715, 46341, 28302}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{66928, 77293, 65084}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{504850, 554618, 503153}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{58956, 60594, 57664}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{4.68*^7, 4.38*^7, 3.47*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{65700, 106425, 67634}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{54554, 98969, 63430}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{105364, 163739, 127763}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{36920, 56807, 41654}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{141402, 124683, 139545}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{42109, 43627, 37139}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2191003, 1957362, 1998890}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{35357, 1, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{112478, 106603, 109514}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{261038, 1, 255199}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{388737, 505844, 1302299}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1397935, 1508433, 1678332}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{105187, 105080, 112960}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{2018385, 2036066, 1825477}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{347639, 351788, 340105}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{91535, 117820, 85869}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1703694, 1905843, 1791166}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{424507, 503032, 502475}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{785490, 698789, 747947}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{972221, 1034409, 1004154}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{22856, 33018, 31067}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{15178, 1, 1}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{2708055, 1, 609555}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{53922, 84326, 64372}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{418019, 511410, 463679}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{69154, 1, 71457}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{231696, 274198, 33321}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{660573, 634452, 619869}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2382226, 1697689, 2563759}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1055470, 830996, 845559}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{1, 67722, 60913}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{1, 5114207, 4153458}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{34945, 1, 31738}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{94201, 1, 109194}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{33418, 39602, 34537}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{47708, 47188, 42542}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{430799, 89095, 181098}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{41162, 88758, 88092}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2054741, 2419456, 2412459}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{64399, 60079, 56371}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{19465, 14286, 13794}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{203603, 193024, 178281}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{277148, 346497, 292863}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{478421, 409172, 396944}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 55082, 275546}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{1, 5701922, 3353670}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{51096, 48590, 49859}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{787419, 1, 760470}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{77371, 82145, 62985}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1859253, 2103228, 1872050}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{333987, 249486, 321904}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{42583, 34727, 39763}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{202891, 177980, 152542}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{136479, 195674, 110098}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{276114, 324759, 244375}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{494560, 595963, 454745}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1840961, 2068135, 1864952}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{741842, 743079, 630707}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{566070, 628316, 1}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{66741, 44644, 83760}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{160121, 65090, 206219}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{97700, 107911, 104277}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{82317, 118164, 26162}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{972621, 1377765, 1040257}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{43270, 36199, 99519}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{441526, 482712, 392662}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{92564, 112256, 87421}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1192320, 1242055, 1204141}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{603295, 624908, 628572}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{177547, 181484, 172978}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{342900, 353757, 379724}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{170185, 186013, 169858}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{40909, 37907, 38607}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{205618, 212236, 191636}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{176824, 178723, 147512}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{132839, 48380, 130784}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1855328, 2110794, 1993494}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{360156, 376496, 343447}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{205842, 155395, 221226}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{864325, 943050, 787397}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{91133, 97882, 92511}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{116559, 111544, 92040}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{663122, 725087, 653634}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{1, 25786, 12785}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{202307, 221532, 461020}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{1, 74315, 54401}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{198258, 195326, 175877}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{1, 168431, 1}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{68263, 54817, 54631}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{48620, 98249, 57643}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{1, 27261, 20326}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{58116, 59824, 50719}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.27*^7, 2.29*^7, 1.46*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{291229, 273398, 267721}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{1, 30966, 32869}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{126308, 125803, 111832}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{72499, 1, 1}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{37339, 41678, 40751}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{295379, 225674, 395591}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{36239, 34541, 37543}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{30684, 26807, 28712}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{134556, 118693, 121097}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{75808, 116021, 146129}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{105068, 105034, 98598}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{71539, 90654, 98953}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1958255, 537939, 1}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{203602, 189031, 170270}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{726252, 777694, 655060}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{137168, 91040, 93507}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{545521, 542008, 525697}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{2017021, 2026480, 1942091}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{66022, 84527, 86998}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{58413, 66350, 96856}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{90546, 92886, 112941}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{313325, 304234, 300044}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{251050, 233642, 228939}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{179021, 165406, 135908}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{528809, 559599, 511427}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{40517, 41037, 42653}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{78827, 76314, 74325}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{36971, 31046, 42057}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{20134, 27133, 26765}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{582136, 582028, 482040}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{51421, 51554, 53436}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{80611, 88271, 85996}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{133805, 135108, 122776}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{187759, 188706, 175798}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{157586, 162023, 164132}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{72072, 68593, 68575}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{155199, 60938, 1}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{49937, 48772, 52935}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.03*^7, 2.95*^7, 2.88*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{229626, 149563, 114124}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{42479, 39986, 44150}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{92839, 117971, 97599}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{71582, 75853, 100657}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{487894, 460512, 462831}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{429927, 475619, 308744}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{53995, 59588, 28571}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{1, 187130, 1}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1438604, 1485476, 1}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{95505, 101141, 98827}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{744741, 1039737, 913209}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{674652, 690581, 682582}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{85078, 1, 1}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{243667, 175577, 171014}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{73355, 54118, 50347}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1529403, 1548417, 1518380}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{210321, 242063, 212001}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{122428, 110235, 119090}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{1, 42614, 1}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{195587, 1, 1}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{120818, 124594, 117900}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{584095, 551545, 523406}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{63685, 65604, 59429}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{83162, 77821, 84943}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3654465, 3583693, 3631156}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1318561, 1284872, 1298721}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{46652, 47650, 43132}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{237065, 226976, 222638}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{256654, 239443, 246372}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{77089, 79131, 77324}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{574916, 543869, 512598}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{117153, 105281, 99403}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{60695, 54854, 53874}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{1, 1, 311935}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{89518, 96400, 99812}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{114929, 113598, 109039}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{225336, 216072, 170907}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{172435, 167605, 179152}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{169128, 174471, 212379}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{203740, 492157, 297628}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5be\
ta-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{21322, 61832, 169358}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{223421, 258325, 267888}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{1072885, 1131334, 966400}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{113985, 182457, 100447}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{1155727, 1250898, 1385069}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{178558, 159685, 160577}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{1136658, 1065060, 1649424}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{93105, 128345, 89494}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{1, 36473, 34449}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{47616, 49823, 48736}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{1, 213506, 200665}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{43939, 45923, 42174}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{241100, 212917, 221647}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{22966, 21519, 20131}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{59286, 55021, 52689}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{73761, 84130, 74725}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2224621, 2096557, 2034431}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{34744, 55504, 42776}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{653338, 673917, 742391}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{101265, 93031, 85923}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{83649, 81957, 63123}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{52202, 54532, 51250}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{112263, 112498, 120565}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{236343, 221692, 208550}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{94724, 84935, 73108}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{252770, 267897, 238142}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{702612, 740313, 693644}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{1, 225276, 189056}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{1, 307547, 320048}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{320855, 277648, 261874}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2990494, 2729805, 2482004}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{39829, 40659, 32604}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{35862, 30933, 29827}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{72868, 87880, 206234}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{227651, 216118, 186103}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{262671, 283479, 258070}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{3504819, 3127282, 3586995}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{52751, 1, 1}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{89421, 102286, 94188}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{16471, 23292, 12238}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{55825, 1, 1}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{75616, 92401, 88232}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{102199, 134529, 116761}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{107237, 97615, 75705}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{221740, 220743, 200251}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1089445, 1249850, 1160243}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{30603, 30291, 1}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{29023, 27739, 32037}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{96877, 85273, 74429}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{997544, 925304, 736543}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{209883, 226018, 210269}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{99186, 96782, 70843}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{217994, 284549, 278086}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{37577, 43188, 46544}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{58942, 63182, 51041}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> {{70208, 74928, 94522}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{75625, 69745, 46821}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1304489, 1288803, 1187368}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{35252, 40469, 39249}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{1, 169475, 148224}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{18959, 1, 1}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{63561, 92075, 54415}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{1795628, 1778845, 1901902}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{20099, 15165, 30375}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{1118733, 1657856, 1761334}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{46714, 43351, 34838}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{80857, 100555, 101777}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{187367, 178945, 140768}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{69681, 67099, 1}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{428278, 656866, 2983982}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{47235, 50276, 45049}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{418063, 457004, 423085}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{48487, 34584, 85526}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1414005, 1301404, 2712310}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{143690, 95003, 67001}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2293391, 2433226, 2539356}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{37551, 43765, 37202}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{3809765, 3475585, 1.26*^7}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{59524, 67573, 52133}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{357740, 353552, 362829}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{137551, 126064, 113236}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{1015593, 1065033, 1031173}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{62194, 59130, 62988}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{36714, 7396581, 7788983}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{163414, 190018, 182339}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{28766, 33411, 31148}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{203631, 147795, 220565}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{61859, 74395, 70251}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{488115, 471754, 468394}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{214088, 206085, 186437}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{330541, 285085, 310002}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{33493, 32107, 1}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{37959, 42432, 43799}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3872380, 3763000, 3585616}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{52314, 50841, 74790}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{114197, 105565, 109210}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{48274, 52593, 1}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{31854, 61173, 49002}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{41844, 46756, 42260}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{64481, 62259, 36246}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{1432699, 1276336, 1190000}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{36082, 47923, 49135}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{39503, 30298, 29402}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{70142, 75088, 63268}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{121011, 168686, 140741}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{129322, 104423, 101921}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{40935, 42915, 43450}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{24056, 24261, 58619}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{308564, 291169, 289124}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{62164, 60044, 61439}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{229769, 230501, 229528}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1478960, 1532990, 1489555}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{482591, 617197, 556323}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{31108, 36104, 31984}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{32284, 38881, 36437}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{3841468, 2927814, 2605213}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{73154, 63729, 63808}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{2723940, 2659088, 2620548}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1470876, 1634542, 1550709}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{244513, 248416, 312546}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{82709, 67517, 1}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{42781, 27838, 23571}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{400030, 295026, 249718}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{2.03*^7, 1.73*^7, 1.6*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{60212, 60443, 67440}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{13381, 15100, 207848}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{57317, 54536, 51753}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{188701, 191336, 192722}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{25493, 28280, 1}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{146180, 162917, 143001}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{22913, 84639, 98761}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{427937, 373131, 418362}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{58607, 36156, 29380}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{37278, 56137, 55663}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{51513, 52492, 50764}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{240774, 226158, 230977}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{141159, 1, 152156}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{35197, 34742, 30109}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{151932, 196316, 265461}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{156979, 183357, 183076}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{146644, 117187, 167976}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.91*^7, 1.77*^7, 1.76*^7}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{260014, 297390, 298020}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{1.05*^7, 9825371, 9732721}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{147251, 132401, 144381}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{256980, 287915, 271055}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{22723, 23936, 19644}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{115747, 127711, 129681}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{13299, 19872, 87262}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{17063, 20454, 19387}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{55263, 61059, 132349}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{3640832, 3644212, 3707245}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{3873202, 3951134, 4930266}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{28851, 35690, 31417}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{154452, 202130, 203453}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{47132, 78148, 76429}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1571096, 1461240, 1481779}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{1, 16264, 1}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{6980115, 6983470, 7351067}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{794381, 738066, 702178}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{103630, 103612, 113657}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{158098, 170173, 188375}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{328154, 306530, 291913}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{37930, 40616, 37799}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{13040, 13331, 19055}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{42339, 37851, 42712}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{248139, 261916, 262098}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{33591, 28720, 26984}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{57417, 1, 24478}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{535683, 513872, 487653}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{78119, 50308, 58562}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1268595, 1239346, 1177011}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{4260209, 4456773, 4344428}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{45661, 57345, 49649}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{636614, 611815, 599067}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{115468, 107443, 101384}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{932569, 900759, 858439}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{264723, 240312, 229264}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2635213, 2570684, 2384617}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{33795, 38705, 36012}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5234778, 5857736, 5233852}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{888527, 1378297, 1483496}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{375626, 336721, 332836}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{166246, 166459, 152171}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{79175, 69922, 56441}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{96126, 120128, 115287}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{22705, 18964, 20413}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{491653, 468387, 501916}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{991897, 782437, 770891}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{43877, 41779, 47413}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{70168, 74942, 76391}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{376838, 395225, 343568}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{3252001, 2992333, 2953225}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{61747, 64264, 65846}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{2103693, 1972426, 1963056}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{34384, 29186, 34606}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1218286, 1165237, 1100884}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{114775, 116467, 110048}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{296218, 115196, 106361}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{49712, 53767, 59931}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{24161, 24861, 25828}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{312098, 280438, 289654}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{58628, 61485, 59219}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{65941, 55685, 47165}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{82446, 71174, 73306}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{315681, 336316, 364711}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{1760024, 2068231, 1658314}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{115559, 100383, 96265}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1904378, 1869068, 1745047}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{325405, 300750, 301194}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{5382572, 6032930, 5507694}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{20758, 24263, 19817}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{51241, 64275, 51857}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{171041, 149414, 147904}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{1040050, 1202736, 1090632}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{191333, 162315, 134789}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{85961, 75351, 61209}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{938467, 1, 994618}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1003016, 935691, 851337}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{26705, 26001, 26220}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{424072, 382312, 413290}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{140789, 131308, 133822}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2877986, 2620444, 2614858}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{466639, 385096, 337560}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{62057, 59204, 59155}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{155488, 133046, 127392}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{174565, 168608, 188335}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{416579, 450709, 444859}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{100753, 97793, 96236}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{904251, 739167, 660211}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{226742, 225689, 238834}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{215977, 195117, 188738}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{83925, 81842, 71914}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{194886, 194512, 217626}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{122773, 125549, 130460}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{456927, 433354, 453585}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{85874, 74905, 76518}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1575225, 1498317, 1335339}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{195387, 186319, 164727}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{302004, 248646, 189623}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{167811, 169114, 225692}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{25628, 24100, 23993}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{321175, 276930, 219310}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{48094, 53468, 49361}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{59435, 57890, 74944}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{586980, 567608, 631379}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{64884, 78526, 96675}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{224864, 242135, 249335}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{117355, 153202, 144915}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{19281, 24253, 34805}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{82646, 88072, 119714}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{435150, 406644, 412781}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{43438, 46929, 54579}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{965117, 983985, 1021768}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{590745, 502103, 461968}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{26104, 26044, 22157}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{87745, 86593, 87695}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{76649, 82655, 91052}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1034186, 847709, 764333}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{47464, 41832, 37531}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{52526, 37307, 32747}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2593970, 2152918, 2222029}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{226778, 197073, 154037}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{519477, 559204, 556639}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1890274, 2025712, 1904847}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{184248, 175112, 127118}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{46535, 52914, 46847}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{131824, 124085, 140805}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{189299, 185901, 184827}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{446679, 492016, 296061}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{42529, 42774, 60825}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{368063, 404256, 345956}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{41149, 673950, 727054}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{153961, 184866, 1}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{1, 137581, 99835}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{1049660, 840872, 615095}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{394651, 399808, 358105}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{208384, 231168, 226859}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{71593, 48953, 40945}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{991571, 1113708, 1171850}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{43250, 52667, 66277}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{130346, 96475, 77095}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{219786, 232797, 253378}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{134096, 136183, 129573}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{156121, 146278, 154307}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{101802, 101390, 104743}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{411928, 472563, 447861}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{401076, 414497, 376104}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{87066, 92276, 93593}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{72060, 81341, 105465}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{541569, 565339, 541393}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{31600, 30878, 37230}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1170567, 1155339, 1523774}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{456839, 434304, 404789}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{49974, 44402, 43571}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1, 1, 1}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{165925, 104850, 80565}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{1367243, 847494, 752375}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{107867, 105104, 110800}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{187883, 140147, 101237}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{380783, 372693, 390079}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{129289, 123807, 130526}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{37225, 23487, 31598}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{682892, 648960, 698483}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{21353, 20679, 1}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{29455, 27256, 1}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{21112, 20551, 1}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{21686, 21682, 19087}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{23153, 21277, 1}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{16701, 18459, 16645}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{20736, 20931, 18907}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{1, 14321, 13095}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{161812, 183573, 148121}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{224901, 221059, 210270}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{186601, 1, 157486}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{1, 324586, 1}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{52116, 73276, 48010}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{306049, 296171, 388231}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{1, 1, 43362}, {"1-Pyrroline-5-carboxylic \
acid [ C5 H7 N O2, db=81.81, overall=82.31, mfg=82.81, KEGG ID=, CAS \
ID=2906-39-0 ]", "2906-39-0"}}, {268.0812, 0.8973462, "Meta"} -> 
    {{82074, 1, 80935}, {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, \
mfg=61.56, KEGG ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, 
   {488.12, 1.2590418, "Meta"} -> {{49869, 56430, 74655}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{1, 31354, 1}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{102220, 101800, 105211}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{153605, 147980, 145833}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{3210345, 3253360, 3287976}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{164106, 1, 163727}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{92957, 1, 88495}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{77081, 74677, 71608}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{145162, 137289, 131657}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{42835, 1, 1}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{19324, 1, 1}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{41594, 23795, 46269}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{19973, 19310, 1}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{1, 1, 14474}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{19245, 20897, 21211}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{27274, 1, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{1, 1, 36694}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{1, 1, 226962}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{25622, 22927, 1}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 70341, 50789}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{21165, 28593, 18429}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{22905, 21739, 22162}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{15232, 1, 20665}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{17140, 18666, 16747}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{18976, 19291, 20005}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{23573, 17808, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{24907, 30847, 23745}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{44346, 15810, 17820}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 1, 1}, {"Calotropin [ C29 H40 O9, \
db=61.28, overall=62.42, mfg=63.56, KEGG ID=C08855, CAS ID=1986-70-5 ]", 
      "1986-70-5"}}, {1204.6877, 12.977323, "Meta"} -> 
    {{31387, 31389, 23404}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{1, 1, 1}, {"(1R,2R)-3-oxo-2-pentyl-cycl\
opentanehexanoic acid [ C16 H28 O3, db=78.87, overall=78.92, mfg=78.97, Lipid \
ID=, KEGG ID= ]", ""}}, {356.2212, 13.095407, "Meta"} -> 
    {{1, 10937, 18635}, {"methyl \
13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 O6, db=56.61, \
overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{1, 32746, 1}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{34685, 39344, 25625}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{120920, 41346, 83920}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{148445, 138085, 138873}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{1, 1, 1}, {"18-acetoxy-PGF2alpha-11-ace\
tate [ C24 H38 O8, db=38.97, overall=39.32, mfg=39.68, Lipid ID=LMFA03010098, \
KEGG ID= ]", ""}}, {482.359, 13.575268, "Meta"} -> 
    {{241981, 261969, 266666}, {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", 
      ""}}, {396.2372, 13.604919, "Meta"} -> {{1, 106591, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{1, 19731, 13710}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{29471, 1, 1}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{34513, 24836, 23058}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{66236, 43247, 37840}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{44007, 49016, 1}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{68526, 72403, 76005}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{25307, 1, 32327}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{1, 22357, 16091}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{33914, 34361, 34141}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{179118, 1, 185863}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{78207, 61294, 68251}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{9201, 1, 1}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{44838, 43049, 42972}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{455936, 1, 536091}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{110910, 111504, 1}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{18104, 1, 1}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{26119, 32904, 25401}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{155401, 141833, 158188}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{1, 121927, 1}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{753936, 711096, 691141}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{16394, 55566, 60484}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{1, 90786, 1}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1, 1, 615657}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{149939, 111022, 139570}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{67099, 153258, 111151}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{193538, 205425, 154053}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{1, 97476, 115019}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{21042, 24063, 27455}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{20270, 23721, 26326}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{330826, 339205, 310516}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 24631, 25418}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{51833, 72965, 66055}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{106535, 100680, 1}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 20570, 49283}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{1, 209643, 210273}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{29203, 42322, 34247}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{89623, 120696, 109132}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{696396, 1, 1}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{62045, 58440, 57834}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 121447, 128074}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{75655, 77768, 67657}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{296095, 283806, 303507}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 452675, 221755}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{1, 38329, 75090}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{67476, 67295, 68735}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{39790, 40976, 1}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{29236, 1, 26148}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{1, 38954, 30477}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{1, 1, 47235}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{13993, 46214, 1}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{12860, 15355, 12911}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{1, 244919, 1}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{1, 39550, 1}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{36736, 1, 25484}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{40727, 38856, 29015}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{83415, 60212, 66319}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{51743, 1, 59853}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{100784, 118858, 112834}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{1, 348846, 394608}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{238402, 1, 1}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{332719, 1, 1}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{30312, 1, 23739}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{27376, 27848, 29711}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{15589, 1, 16627}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{28201, 31583, 39750}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{128032, 110084, 111126}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "13" -> <|{457.0024, 0.34764, "Meta"} -> {{17516, 1, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{32982, 32969, 31425}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{22035, 17369, 18421}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{17803, 17708, 16795}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{26364, 21258, 23489}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{86327, 87065, 81632}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{48949, 51527, 47378}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{47349, 43436, 45407}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{1, 1, 10958}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{1, 11089, 10195}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{24696, 26427, 25978}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{17079, 16755, 15993}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{22115, 23283, 21825}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{24122, 24311, 24801}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{13686, 14344, 10313}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{23059, 18597, 14255}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{43692, 37003, 28919}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{58939, 54892, 46227}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{28025, 23104, 22913}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{81343, 74601, 71284}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{65701, 65608, 56023}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{55208, 55435, 49620}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{81682, 75310, 68592}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{53492, 47049, 42353}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{533655, 511434, 505570}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{21817, 21681, 22352}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{115937, 110948, 94600}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{59062, 66015, 53658}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{157676, 151422, 133031}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{86495, 81004, 68890}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{20142, 1, 1}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{324293, 290409, 268618}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{23759, 27546, 1}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{219617, 210245, 183919}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{42031, 45125, 43883}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{431196, 1, 337785}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{34245, 32172, 1}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{826150, 779297, 721330}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{527329, 483501, 438191}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{952991, 881832, 791797}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{25766, 1, 21929}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1455732, 1387125, 1295452}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1704858, 1594222, 1480839}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1172201, 1114445, 1029138}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1348086, 1281587, 1157648}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{21155, 16924, 15496}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{699850, 697475, 650213}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{62120, 59790, 53165}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3530247, 3094298, 2891484}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{45070, 43393, 40215}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{77141, 65452, 60866}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{53629, 54339, 47428}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{22275, 18009, 18542}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{69333, 66614, 61860}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{37265, 36496, 28179}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{74628, 67918, 59018}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{56196, 49982, 45593}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{18880, 18931, 16950}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{20193, 21770, 18627}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{19111, 14202, 15847}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{200968, 203980, 179029}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{670535, 662707, 653158}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{166869, 166325, 162135}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{150565, 129456, 132455}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{69673, 126116, 124161}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{32219, 30033, 29774}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{55570, 57585, 60261}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{94760, 1, 107956}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{346564, 328516, 317510}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{109702, 89762, 90731}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{371703, 339855, 1}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{1, 125661, 1}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{85873, 106690, 83592}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{196937, 198681, 184834}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{38716, 1, 24703}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{27824, 1, 23740}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{89821, 85641, 87338}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{65960, 67479, 70374}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{140666, 145276, 137791}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{99606, 99890, 101609}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1499327, 1520010, 1537960}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{134917, 131483, 135415}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{48825, 48265, 46069}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{175703, 171174, 161310}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{9714563, 9595176, 9072233}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{122057, 122128, 121924}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{162741, 155303, 139648}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{77374, 70678, 1}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{65158, 63354, 71548}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{1, 41050, 27900}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{78820, 137505, 94696}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{157539, 358313, 242881}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{54863, 64939, 65999}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{235347, 169368, 316421}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{89983, 88035, 80128}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{884455, 1009392, 1055755}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{311609, 1, 256259}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2064822, 1441180, 1495884}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{1, 35731, 28109}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{237026, 218436, 226083}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{236587, 181787, 215984}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{706813, 586500, 608011}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{159039, 162130, 105147}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{1, 1, 16746}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{105222, 98524, 115444}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{135016, 130305, 151759}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{36142, 35836, 39169}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{471717, 449940, 484214}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{26719, 26197, 27648}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{1, 150482, 174829}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{1, 34529, 22676}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8625178, 8646702, 9025119}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{78038, 1, 91748}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{125171, 136992, 101280}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{412238, 514615, 1}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{81343, 115797, 110428}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{86223, 1, 1}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{328060, 309836, 337623}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{222423, 1, 167887}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{46639, 44362, 41437}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2220404, 1419017, 1527149}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{90552, 79964, 55191}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{1, 124263, 124242}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{299624, 507537, 437357}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{16222, 44233, 39312}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{50764, 1, 87744}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{86853, 115138, 96818}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{106812, 133595, 119786}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{35254, 44209, 37685}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{19056, 21368, 20148}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{88889, 99300, 107009}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.29*^7, 7530931, 1.37*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 30399, 25562}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{454986, 502912, 476606}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{747311, 752061, 627000}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{47214, 43100, 52555}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{107498, 115138, 105768}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{22819, 28493, 27890}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{770279, 873220, 806963}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{100056, 110100, 303598}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{25588, 26567, 27556}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{24098, 25784, 31512}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{27200, 29089, 32788}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{27867, 31785, 32278}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{20199, 21262, 21950}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{94572, 96122, 110081}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{38581, 55731, 31864}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{44066, 35478, 31151}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{14227, 19485, 1}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{98382, 112599, 145060}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{25506, 23092, 1}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{145071, 104775, 101461}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{96582, 64240, 123947}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{299135, 281051, 331457}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{244254, 240394, 235497}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{216089, 221510, 196473}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{1, 1, 95875}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{289248, 270882, 273905}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{1, 104477, 78403}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{222730, 238404, 233969}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{52009, 48639, 49997}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{238932, 250223, 252969}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{76248, 40874, 1}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{343652, 345430, 312103}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{1, 313722, 268139}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{4935735, 5139820, 5004780}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{51110, 81938, 97651}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{80006, 82530, 58602}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{47680, 42374, 45903}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2311239, 2131194, 1}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{147629, 125380, 1}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{57750, 63205, 69679}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{86824, 47983, 131325}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.43*^7, 1.46*^7, 1.5*^7}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{294723, 1, 1}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1083288, 1137341, 1209563}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{2170336, 2098772, 2182805}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{118547, 114097, 109458}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{122547, 1, 193914}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{119483, 118671, 126518}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2348542, 2191536, 2327370}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{314464, 285334, 298606}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 \
O4, db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{115990, 108891, 100848}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{61817, 50671, 1}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{4456208, 4170817, 4137378}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{183617, 1, 178372}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{1, 293516, 1}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{128268, 118095, 113870}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{118359, 112094, 126457}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{217262, 203197, 250980}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{50624, 72758, 109373}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{3.69*^7, 3.58*^7, 3.72*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{981218, 950499, 921987}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1232065, 1, 1260361}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{184280, 184313, 199960}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{106165, 113953, 112874}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{99879, 107262, 118189}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{78221, 81116, 91766}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{61008, 55211, 1}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1005339, 1031347, 1094885}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{559806, 428080, 253576}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{325291, 326167, 333549}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{104605, 103435, 116366}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{47466, 51410, 1}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{1, 1, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{1, 25206, 25548}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{1, 1, 1}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{1, 66179, 68778}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 59665, 112190}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{535613, 470751, 399762}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{99167, 96355, 71305}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{78761, 74409, 63382}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{28164, 22841, 26892}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{62556, 58585, 58276}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{623014, 658519, 702655}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{80802, 76676, 90248}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{19563, 24935, 23587}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{1, 1, 1}, {"Nimodipine [ C21 H26 N2 O7, \
db=72.80, overall=74.28, mfg=75.75, KEGG ID=C07267, CAS ID=66085-59-4 ]", 
      "66085-59-4"}}, {145.0528, 5.719285, "Meta"} -> 
    {{52371, 84749, 70917}, {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, \
overall=71.62, mfg=72.84, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {188.105, 5.770749, "Meta"} -> {{134227, 137324, 360977}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, overall=91.17, mfg=91.49, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{22015, 23537, 22981}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{36928, 1, 41979}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{66731, 79177, 79449}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{61153, 62359, 61355}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{30770, 18189, 22730}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{182957, 117499, 122974}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{208372, 189735, 199580}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{36045, 1, 35365}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{152976, 149001, 178886}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{1, 9914, 12932}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{75468, 71221, 89286}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{398744, 377841, 398057}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{84361, 95574, 97191}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{58389, 33921, 58151}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", 
      ""}}, {189.0791, 6.9656115, "Meta"} -> {{211214, 192204, 193054}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{1, 21376, 20930}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{597429, 624083, 638526}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{1, 15422, 1}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{227559, 256413, 253735}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{47974, 1, 40271}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{502989, 144064, 525174}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{38991, 1, 26374}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{352680, 57208, 1}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{60010, 13611, 629769}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{113317, 73561, 118860}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{98666, 46366, 104060}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.92*^7, 7742091, 1.86*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{36722, 1, 1}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{111012, 53903, 128165}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{48426, 20741, 55497}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{754395, 762769, 788285}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{27356, 29083, 27942}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{12386, 23751, 18508}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{22826, 30390, 1}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{37365, 36579, 38418}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{1, 28516, 24922}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{71432, 66390, 67858}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{1, 1, 20714}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{44202, 46941, 48081}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{268376, 268946, 281344}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{54996, 98534, 117671}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{261451, 250725, 262379}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{194871, 233582, 246355}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{117191, 134160, 121631}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{125205, 137145, 42214}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{1, 19426, 32041}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{44660, 41720, 37788}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{97797, 99880, 1}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{20941, 19167, 19958}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{23142, 33533, 33389}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{51903, 81604, 95829}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{285070, 403701, 442228}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{49193, 52574, 53100}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{27834, 27717, 27861}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{16850, 19645, 20515}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{60012, 61001, 59486}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{31317, 33928, 36948}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{475938, 400317, 472622}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{33719, 32800, 33174}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{138901, 140727, 143304}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{65781, 65193, 68526}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{28483, 29074, 31558}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{40270, 40812, 49348}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{141127, 208606, 165283}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{149928, 1, 149067}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{63549, 63695, 72101}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{84379, 96769, 123997}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{4149909, 4384933, 5251040}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{17195, 20416, 25410}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{91617, 76029, 110398}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{637580, 614874, 776916}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{582325, 647278, 905565}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{186620, 203249, 266367}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{53876, 57761, 60392}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{36031, 38209, 35726}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{290934, 288842, 305717}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{37043, 32624, 37243}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{29441, 39226, 34394}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{365582, 485422, 431128}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{55464, 68402, 66071}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{397912, 510153, 442236}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{31991, 47536, 39085}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{44583, 51194, 49993}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{147919, 149151, 151905}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{40260, 1, 60746}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{158603, 120529, 110101}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{79162, 80641, 89035}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{92323, 92851, 99269}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{39155, 32978, 36206}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{34257, 29355, 28368}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{1, 69145, 69329}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{30767, 30340, 27485}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{34408, 57367, 74227}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{32086, 1, 37468}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{206533, 206136, 222574}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{78979, 103536, 89853}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{36921, 39907, 44666}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{30964, 1, 26755}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{35827, 51372, 33426}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{32929, 31329, 34501}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 37541, 1}, {"Tuberonic acid [ C12 H18 \
O4, db=70.37, overall=70.39, mfg=70.42, Lipid ID=LMFA02020007, KEGG ID= ]", 
      ""}}, {594.3415, 9.460033, "Meta"} -> {{48915, 52701, 55168}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, mfg=91.75, HMP \
ID=HMDB04159, KEGG ID= ]", ""}}, {630.1262, 9.475205, "Meta"} -> 
    {{141426, 157576, 162823}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{36164, 61535, 42909}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{31848, 35551, 38719}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{451309, 434865, 450799}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{114219, 109260, 122691}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{104566, 103590, 102224}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{123333, 119478, 123326}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{48750, 53209, 55133}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{50750, 47603, 52800}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{18372, 21430, 21384}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{88267, 90938, 91649}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{39323, 35368, 32187}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1752400, 1819510, 1924220}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{45999, 41707, 45926}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{61407, 64515, 64440}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 11845, 1}, {"b-D-Glucopyranosiduronic \
acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, db=76.39, overall=76.75, \
mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", "294213-87-9"}}, 
   {422.2306, 9.762639, "Meta"} -> {{290758, 299171, 310077}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{19181, 19846, 24946}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{24596, 1, 27263}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{330396, 336563, 347904}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{27281, 31080, 1}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{439145, 407563, 344375}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{30178, 31479, 28297}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{49074, 56986, 67694}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{55006, 55805, 42820}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{164110, 169853, 179509}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{49692, 51323, 60697}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{132421, 136115, 131358}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{85098, 85593, 92621}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{37207, 41119, 49563}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{84295, 85132, 86961}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{402420, 398605, 420258}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{17035, 1, 21400}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", 
      ""}}, {540.2569, 9.977922, "Meta"} -> {{12974, 12958, 16615}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{1, 271705, 244440}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{71104, 77379, 74230}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{69433, 62723, 79124}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{93314, 109976, 135045}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{1, 1, 31295}, {"Traumatic acid [ C12 H20 \
O4, db=66.42, overall=68.05, mfg=69.68, HMP ID=HMDB00933, KEGG ID= ]", ""}}, 
   {502.1816, 10.061307, "Meta"} -> {{72855, 82971, 92791}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{6121235, 6270458, 6590465}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{17567, 20087, 23049}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{212103, 245968, 256706}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{42326, 45565, 49731}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{96706, 97441, 100291}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{232185, 251988, 277595}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{28503, 1, 33244}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{26631, 31091, 36397}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{28140, 23695, 22311}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{19438, 21686, 21208}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{64542, 76263, 71935}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{39131, 1, 41813}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{52180, 54761, 59181}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{57632, 60710, 66931}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{571431, 626635, 627032}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{1, 22140, 27872}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{111616, 118243, 99156}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{52644, 58364, 57562}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{1, 40671, 42012}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{34701, 24043, 36643}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{349842, 369721, 390765}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{72162, 61136, 1}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{55439, 60705, 58371}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{1, 36334, 40714}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{340015, 363095, 397989}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{1, 25990, 21960}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{125400, 128969, 131251}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{28768, 52856, 85992}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{566653, 504953, 553552}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{103349, 95048, 100666}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{686196, 728497, 727173}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{41808, 41426, 45189}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{43362, 43599, 42795}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{33798, 29221, 34405}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{21133, 22083, 19537}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{24523, 23917, 23133}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{95852, 98357, 111359}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{37940, 35191, 41196}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{16977, 17020, 17046}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{91568, 91376, 96890}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{31396, 28976, 1}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{21861, 24451, 19338}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{170460, 159972, 165181}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{27876, 24283, 26731}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{20231, 20520, 20402}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{237554, 254899, 280823}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{26537, 28704, 25882}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{35886, 39180, 39819}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{15587, 14556, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{77544, 74903, 86582}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{1, 24353, 23344}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{18988, 24368, 38421}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{117237, 123284, 115801}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{26315, 28997, 38717}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{23061, 26344, 26229}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{841818, 867676, 899275}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{26048, 30051, 43003}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{83574, 80111, 93726}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{168345, 175833, 183915}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{33231, 18590, 19577}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{35840, 42496, 48782}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{515196, 528569, 576366}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{110294, 125922, 136480}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{22107, 23053, 1}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{251325, 259009, 274514}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{1, 25431, 22915}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{133421, 137207, 162520}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{134284, 135260, 134550}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{42823, 1, 45077}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{122337, 125478, 138633}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{50732, 56210, 54680}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{288614, 404128, 328824}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{1, 18241, 1}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{24488, 1, 23263}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{23242, 23920, 30156}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{164434, 167757, 159836}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{112300, 115033, 117585}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{90529, 95072, 85717}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{478981, 470593, 506853}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{27331, 21003, 34082}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{90177, 87001, 99934}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{77137, 76585, 80533}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{28679, 26991, 33938}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{63562, 81888, 85630}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{1, 1, 19061}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=79.09, \
overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{146255, 165751, 200374}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{91453, 89711, 103967}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{23597, 27356, 25071}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{41577, 45069, 54717}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{16809, 18676, 1}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{39617, 1, 47897}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{33020, 36633, 41128}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{526639, 552618, 591012}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{1, 1, 13681}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, \
db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{94206, 102969, 111091}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{621176, 511250, 512867}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{29233, 1, 1}, {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", 
      ""}}, {266.1165, 11.206191, "Meta"} -> {{21856, 20860, 27689}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{135216, 126895, 143040}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{19750, 20229, 21176}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{18367, 1, 21982}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{51469, 65282, 61833}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{58020, 57054, 60665}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{1, 1, 1}, {"9-Decenoic acid [ C10 H18 \
O2, db=87.32, overall=87.34, mfg=87.36, KEGG ID=, CAS ID=14436-32-9 ]", 
      "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{31964, 31157, 34197}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{24156, 1, 1}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{16492, 10951, 21312}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{41765, 27811, 50052}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{2169044, 1515055, 2180748}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{21554, 14055, 23552}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{54083, 56357, 64953}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{22648, 21842, 30425}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{586615, 572086, 612512}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{45207, 49175, 51808}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{56621, 59197, 57748}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{31163, 38963, 1}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{28942, 26979, 32467}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{171338, 188502, 182039}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{63479, 69249, 71596}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{52942, 62233, 59006}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{26225, 1, 17726}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{22688, 25253, 28252}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{120385, 122604, 137569}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{126198, 128545, 141269}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{4523474, 4728141, 4916177}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{34970, 42051, 36835}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{31310, 34246, 36270}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{11793, 12787, 16437}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{35284, 41545, 43377}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{88968, 91969, 91487}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{197368, 206436, 207039}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{45128, 49863, 44940}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{56948, 46465, 1}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{36889, 33088, 34447}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{25416, 1, 27580}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{91332, 81651, 94861}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{28119, 29744, 32118}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{49440, 53715, 50191}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{126602, 133989, 143785}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{98204, 97172, 106813}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{65365, 61352, 55331}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{79528, 73059, 75426}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{13172, 15201, 15341}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{245821, 245494, 259148}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{26140, 26870, 27511}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{1, 25014, 29037}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{24324, 25548, 25870}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{66806, 107768, 99002}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{545810, 733511, 694797}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{1, 58680, 58138}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{121862, 126605, 130055}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{114770, 154147, 123207}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{47444, 49275, 43145}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{37405, 32686, 37524}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{525430, 510855, 549668}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{26668, 34984, 31055}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{77929, 84211, 88794}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{19328, 1, 20719}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{202417, 196956, 207299}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{84475, 73843, 84640}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{1, 14074, 1}, {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", 
      ""}}, {498.2829, 11.689418, "Meta"} -> {{105915, 95867, 109932}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{52992, 60590, 64432}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1548087, 1609203, 1702224}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{25157, 25949, 28941}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{16099, 18721, 1}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{80685, 78305, 80155}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{64683, 66881, 68234}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{21479, 22377, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{152829, 161360, 165003}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{225918, 227458, 237474}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{49646, 1, 39814}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{55537, 58247, 1}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1288606, 1295364, 1365600}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{73493, 82961, 93374}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{36757, 43323, 39575}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{525589, 539253, 556890}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{53906, 52278, 46155}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{17627, 28688, 27377}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{273236, 263145, 274167}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{50712, 45650, 47451}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{19872, 17865, 1}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{73829, 75273, 86457}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{142420, 127562, 142805}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{2001160, 1972457, 2078849}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{70098, 52567, 80092}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{31164, 32724, 29219}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{146327, 71862, 77600}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{33089, 1, 36354}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{59251, 61852, 67283}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{1, 139200, 1}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{67519, 75307, 74186}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{15161, 16006, 1}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{15299, 16170, 17329}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{210039, 241949, 225827}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 75914, 70955}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{24826, 24656, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{141720, 167601, 166841}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{24307, 20980, 22556}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{83965, 86962, 87735}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{24078, 28619, 32228}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{158416, 182468, 203664}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{1, 14588, 20655}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{338288, 340722, 362312}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{21391, 26300, 26788}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{59641, 60716, 67354}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{366907, 357790, 343421}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{21554, 25894, 31719}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{21740, 28704, 28577}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{54671, 53761, 55700}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{196965, 156654, 174710}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{20743, 19270, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{109939, 110248, 111167}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{20663, 20563, 19219}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{22234, 16299, 75927}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{100548, 111670, 119846}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{14521, 14992, 19115}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{304165, 294148, 324453}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.43*^7, 1, 2.53*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{295080, 305674, 310714}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{630162, 630295, 688930}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{64073, 66685, 66481}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{118675, 117487, 118567}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{29369, 24393, 24282}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{27615, 35867, 37305}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 1, 23823}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{1, 20874, 18627}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{100409, 103105, 116474}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{32889, 41827, 40922}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{34394, 32937, 37445}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{33207, 29451, 32899}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{46438, 47435, 45743}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{22744, 26098, 1}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{292997, 284722, 308618}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{28566, 51931, 24472}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{1, 22674, 23824}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{26021, 22458, 31098}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{48922, 54877, 57001}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{52014, 61306, 52766}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{36195, 35583, 41000}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{662055, 747804, 771822}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{27240, 28931, 29242}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{71651, 78935, 85285}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{1, 14956, 1}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{246590, 239660, 226294}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{76680, 80866, 81389}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{107565, 106778, 109486}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{34806, 1, 28539}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{33588, 34604, 31300}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{1, 1, 1}, {"Cholic acid glucuronide [ C30 \
H48 O11, db=80.82, overall=82.02, mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", 
      ""}}, {434.2883, 12.167889, "Meta"} -> {{48244, 56217, 51132}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{49314, 48194, 1}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1605021, 1606226, 1673108}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{180163, 186628, 204180}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{30769, 33447, 33553}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{122728, 133976, 132999}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{121905, 120658, 127072}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{70726, 59843, 81288}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{49826, 1, 58431}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{26465, 25238, 28191}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{94516, 92040, 104913}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{26343, 22461, 24946}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2166111, 2154331, 2245870}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{20662, 19567, 17882}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{1, 23773, 17011}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{19487, 24010, 1}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{186902, 179257, 189600}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{201380, 211133, 236599}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{143705, 150194, 151487}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{1, 1, 1}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=73.27, \
overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {324.211, 12.24494, "Meta"} -> {{13899, 13937, 13890}, 
     {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, db=62.97, overall=63.62, \
mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, {314.2459, 12.245145, "Meta"} -> 
    {{66682, 74437, 71169}, {"Octadecanedioic acid [ C18 H34 O4, db=89.21, \
overall=89.84, mfg=90.47, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {308.1627, 12.250629, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{168279, 175550, 184342}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{160593, 159872, 178237}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{45514, 44369, 33262}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{222690, 80937, 84346}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{22981, 23691, 27429}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{20145, 18018, 20183}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{490993, 492852, 497842}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{99737, 91092, 97943}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{43881, 51107, 52715}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{20134, 1, 26351}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{55965, 53929, 1}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{60891, 66049, 68338}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{32778, 31597, 37075}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{37031, 1, 44364}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{49302, 46140, 53558}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{45116, 1, 39138}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{1, 74292, 15252}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{39636, 37196, 41201}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{58243, 60399, 64942}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{1, 81022, 1}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{471814, 490114, 506229}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{42019, 39207, 37616}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{56993, 60222, 33889}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{39042, 36992, 36313}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{99742, 70219, 73509}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{310494, 342366, 297069}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{19225, 16937, 20405}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{18631, 23649, 15297}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{424204, 443762, 438763}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{32456, 37933, 32318}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{110289, 114371, 115212}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{107455, 112712, 110696}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{130978, 123684, 124789}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{81806, 76051, 77436}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{8852460, 8777396, 8764536}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{271770, 267955, 284309}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{17866, 18785, 21063}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{42754, 37873, 61695}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{26379, 25324, 27603}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{46838, 45718, 51146}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{34262, 1, 40522}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{2893586, 2959055, 2922009}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{20855, 22096, 37958}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{38156, 43988, 39230}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{30600, 46989, 53117}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{39679, 40196, 41233}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{19375, 22952, 25005}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{26271, 28879, 26744}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{132728, 147505, 149559}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{30678, 28287, 28877}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{174545, 119792, 191006}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{1, 1, 91102}, {"3-keto palmitic acid [ \
C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, Lipid ID=LMFA01060051, KEGG \
ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> {{99708, 98482, 101484}, 
     {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", ""}}, 
   {657.3511, 12.452407, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{1, 36984, 39049}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{161115, 142676, 155669}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{398321, 407261, 405233}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{54232, 43933, 38921}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{20692, 22330, 20921}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{95689, 100569, 103335}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{49429, 44925, 47959}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{56092, 41242, 20948}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{44080, 37589, 31286}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{409174, 322619, 297361}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{13267, 1, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{30302, 1, 35995}, {"8E-Heptadecenedioic acid [ C17 H30 O4, db=63.35, \
overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{16857, 16302, 18009}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{138282, 154995, 144679}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{19333, 1, 26802}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{18701, 17887, 23098}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{2379039, 2351041, 2276875}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{16748, 18790, 18658}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{35947, 34022, 31563}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{20813, 23954, 26724}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{122729, 123547, 135388}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{21714, 26678, 26020}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{21809, 22297, 19377}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{28877, 28779, 29217}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{24860, 20488, 23133}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{26427, 25960, 22170}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{89215, 114221, 78166}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{137816, 131943, 128720}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{185428, 191821, 189873}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{111575, 97155, 96355}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{1, 44542, 1}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{608975, 583389, 576547}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{92892, 96942, 91491}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{32017, 27524, 29791}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{114086, 112102, 99733}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{39715, 38449, 35837}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{160230, 199765, 170273}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{284867, 379048, 294023}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{116995, 87858, 143836}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1522201, 1109028, 1795978}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{128961, 143810, 134214}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{33823, 32540, 42798}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{731911, 846122, 729150}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{79292, 98040, 83921}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{84426, 66542, 104151}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{34594, 1, 1}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{19640, 81597, 21937}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{690089, 611880, 860051}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{1, 1, 16521}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{252356, 239306, 207145}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{336359, 298792, 425171}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{57280, 1, 61791}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{85732, 90361, 88599}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{1, 1, 1}, {"D-Urobilinogen [ C33 H42 N4 \
O6, db=58.23, overall=58.96, mfg=59.69, HMP ID=HMDB04158, KEGG ID= ]", ""}}, 
   {461.252, 12.689134, "Meta"} -> {{22789, 28703, 21256}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{306172, 320937, 307550}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{321038, 387005, 355538}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{537031, 456274, 427965}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{181734, 147130, 153815}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{304200, 339241, 315274}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{124719, 123101, 135734}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{274738, 273632, 287545}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{67247, 66665, 71657}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{377084, 289598, 507357}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{159478, 1, 179653}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{23723, 29410, 28114}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{28047, 47044, 1}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{1, 19527, 19089}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{71627, 82685, 64738}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{608616, 637968, 623204}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{24822, 24655, 22227}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{294215, 295261, 266108}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{30059, 34074, 32468}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{31494, 31850, 31339}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{621676, 426251, 557272}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{185643, 170773, 182806}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{27966, 36459, 37600}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{3221871, 2702179, 3954764}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{312129, 300664, 305388}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{37390, 33104, 36712}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{107847, 89263, 130459}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{39758, 1, 37447}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{65856, 74078, 70908}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{146089, 159936, 159610}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{181122, 122983, 161104}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{36175, 42698, 41889}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{404389, 438170, 413979}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{66147, 57119, 56296}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{450808, 338723, 414186}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{32590, 24734, 28538}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{4002109, 2957393, 3376401}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{533186, 410991, 472298}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{23525, 17097, 19362}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{15779, 29533, 28854}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{39754, 40950, 50538}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{105430, 69241, 94747}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{68860, 1, 75148}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{192349, 208107, 343178}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{69129, 79835, 98409}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{2415426, 1958812, 2669545}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{80026, 83292, 91361}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{28960, 41069, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{1, 158129, 1}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{519697, 474950, 649884}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{26801, 17215, 1}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{127731, 105379, 130895}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{242931, 241016, 268005}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.12*^7, 2.15*^7, 2.05*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{181378, 175035, 163650}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{692620, 700891, 681438}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{49624, 54808, 33895}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{149041, 166919, 117943}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{26595, 29862, 1}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{50532, 52480, 53637}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{20196, 24506, 1}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{55923, 1, 64681}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{96754, 83024, 80994}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{36923, 38008, 53181}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{1, 49371, 45876}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{23801, 24636, 23852}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{1, 32361, 1}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{13664, 16021, 15485}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{1, 23369, 14529}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{677657, 736847, 838191}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{169308, 160508, 156978}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{23969, 28191, 27958}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{56447, 17291, 67350}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{27425, 30703, 24545}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{102202, 77886, 61706}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{114409, 115010, 132176}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{37243, 45242, 29776}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{27463, 29553, 21566}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{601754, 632000, 552303}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{18503, 19877, 16095}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{85400, 1, 62741}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{43730, 45864, 39823}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{101551, 82228, 47088}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{482107, 494409, 517730}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{127005, 112452, 158040}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{165442, 174359, 168905}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{337646, 367628, 357569}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{205574, 211898, 190968}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{20061, 22760, 26504}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{33678, 32567, 36407}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{2982191, 3343909, 3399095}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{30708, 30699, 29306}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3327387, 3136830, 3456903}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{26219, 41249, 26725}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{17385, 14921, 14371}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{78985, 85631, 82475}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{37245, 33659, 47179}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{23598, 29055, 33356}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{492586, 552972, 611008}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{205160, 211018, 186805}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{44977, 59876, 50961}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{1, 29863, 19424}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{132506, 122700, 142557}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1389103, 1471939, 1582393}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{18378, 1, 1}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{131253, 127140, 120378}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{464874, 523136, 522358}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{480949, 420370, 487354}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{87612, 83003, 86800}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{138170, 130049, 103096}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{95002, 88228, 105837}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{2270416, 2062814, 2210972}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{90613, 95201, 73957}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{69629, 71688, 62999}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{26515, 31280, 31294}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{337767, 333042, 390942}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{74620, 76852, 69699}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{1, 12928, 1}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{74971, 77266, 60439}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{64609, 64345, 45309}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{434254, 441981, 348035}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{466239, 404441, 461156}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{25921, 25031, 17207}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{20690, 18147, 16496}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{27401, 1, 31769}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{222213, 252558, 198492}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{280973, 249422, 229280}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{36680, 38858, 34196}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{52341, 39988, 35555}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{62108, 45273, 43597}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{138187, 135809, 30814}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{10043, 10549, 1}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{226349, 196007, 204995}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{133772, 111508, 130646}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{442284, 385876, 367582}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{2928303, 2424934, 3362014}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{69576, 76390, 73532}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{55082, 51315, 54256}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{139706, 127462, 133454}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{3673540, 3251332, 4619309}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{1875289, 1900463, 1688171}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{75475, 74893, 70359}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{65999, 66603, 53617}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{2107016, 1641735, 2605902}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{56648, 82718, 62680}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{8174764, 8224281, 8209845}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 50387, 1}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1446787, 1478516, 1277235}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{187527, 185624, 167863}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{52110, 47271, 52545}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{223094, 136509, 180987}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{311303, 298392, 217015}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{97546, 88125, 95832}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{24467, 46444, 76875}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{33140, 32941, 26720}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1597996, 1480960, 1497309}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{81213, 85098, 1}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{2864420, 3922115, 4186141}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{343650, 382926, 431730}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{34069, 37147, 32353}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{22300, 19710, 17531}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{53003, 52919, 49836}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{196683, 162049, 195727}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1055383, 1005865, 789682}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{1011098, 827482, 1010946}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{236819, 244452, 195530}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{555949, 517204, 510719}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{277918, 217670, 162878}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{396062, 425402, 499051}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{93826, 98315, 69981}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{1, 1, 14767}, {"5(S)-HETrE [ C20 H34 O3, \
db=80.66, overall=81.14, mfg=81.63, Lipid ID=LMFA03050005, KEGG ID= ]", ""}}, 
   {555.3537, 13.122594, "Meta"} -> {{3045236, 3321417, 2989729}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{286519, 255537, 247428}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{441551, 73249, 1}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{76462, 81351, 74606}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{497098, 503973, 386655}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{776892, 774606, 712027}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{193673, 192804, 165796}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{112767, 91692, 103545}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{192030, 206223, 1}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{87244, 25536, 47927}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{1, 321595, 1}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{227935, 233987, 224111}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 40123, 17136}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{1, 40726, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{78264, 72432, 61207}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{64919, 58848, 1}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{80327, 71130, 66092}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{72456, 71974, 44209}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{1, 64315, 60712}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{204696, 146412, 155326}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{17117, 18439, 18472}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{47003, 51649, 36820}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{136948, 159897, 210664}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{82149, 65406, 51503}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1853096, 1076770, 1610957}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{440899, 207736, 400151}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{79245, 89110, 107406}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{195427, 129690, 161780}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{43333, 33223, 37343}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{121850, 84631, 87946}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{18551, 15515, 22492}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{53529, 59111, 47472}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{90995, 85636, 79985}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{55813, 38044, 41158}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{98041, 98178, 97341}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{28842, 21430, 19478}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{30626, 23643, 1}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{63943, 66398, 54695}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{58015, 60854, 59440}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{37627, 40427, 37709}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{57510, 98086, 47309}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{18566, 40325, 17323}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{309903, 313074, 278904}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{17926, 18948, 1}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{3419498, 3657761, 4073707}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{92887, 87082, 81360}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{406388, 393653, 514011}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1704301, 1608428, 1417444}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{510324, 551239, 594485}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3791758, 3504466, 3138618}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{73740, 90855, 79314}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.34*^7, 1.32*^7, 1.24*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{421462, 397908, 480753}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{18491, 19952, 22156}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{258819, 284797, 287615}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{358620, 313604, 368459}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{18835, 1, 16849}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{94902, 75052, 78617}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{72161, 57489, 70776}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{171664, 193162, 181426}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{61415, 56689, 52000}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{22248, 18600, 18887}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{18367, 32911, 37050}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{1, 14092, 14357}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{125609, 118187, 121178}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{97265, 91888, 94444}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{28561, 24932, 23805}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{536880, 521823, 398876}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{185689, 206760, 268929}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{1, 16050, 16733}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{43898, 41182, 44066}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{438104, 434861, 418412}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{831276, 977612, 850849}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{147199, 141661, 181142}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{20850, 106372, 99835}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2443186, 2539307, 2686318}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{271744, 301662, 346109}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{57488, 53810, 61102}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{32891, 51487, 55060}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{185436, 166361, 136056}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{251672, 242300, 220048}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{80734, 57891, 56044}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{119311, 115583, 94203}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{67988, 71522, 26731}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{58798, 70198, 76236}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{543256, 529699, 371742}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{69511, 78558, 66701}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{343941, 311188, 293938}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{54403, 59121, 44464}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{58909, 38060, 34844}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{56919, 41822, 38459}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{25884, 35502, 24900}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{109969, 108007, 114217}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{188638, 155951, 150366}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{35405, 22885, 36416}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{556687, 604168, 729781}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{61810, 58520, 59625}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{152762, 138331, 112812}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{2847627, 2737408, 3263793}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{15578, 12457, 11924}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{192648, 167780, 225966}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{29962, 26486, 29181}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{145292, 88647, 85037}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{195510, 206930, 136378}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{62922, 62638, 56490}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{26381, 20343, 20809}, 
     {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{127158, 110724, 92484}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{122368, 115731, 89996}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{91693, 109619, 117243}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{100621, 71623, 68414}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{207696, 198742, 240804}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{492952, 475792, 493293}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{56593, 38481, 47408}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{81208, 97594, 94078}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{39689, 230937, 252405}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{235912, 218140, 202089}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{43878, 36370, 30147}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{2969003, 2956205, 3052835}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.12*^7, 1.14*^7, 1.16*^7}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{86173, 89120, 88497}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{35398, 30502, 34745}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{104571, 90770, 60521}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{116570, 124937, 116538}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{36308, 30203, 27281}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{54756, 52542, 53285}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{999816, 1605615, 1456005}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{55785, 88277, 76350}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{110472, 211365, 164969}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{49171, 61393, 65891}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{196122, 207435, 236607}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{83188, 83490, 87807}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{250537, 304319, 319567}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{83826, 79604, 64885}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{548124, 554519, 512402}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{284865, 308912, 327342}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{398697, 222935, 269253}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{234523, 213511, 218411}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{100050, 129820, 120621}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{119425, 141981, 147078}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{705532, 640859, 681853}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{50680, 39792, 39574}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{49521, 36897, 39528}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{102471, 93450, 99063}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{65150, 38412, 33300}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.38*^7, 1.21*^7, 1.22*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{72898, 58785, 61433}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1871618, 1717334, 1639853}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{23507, 26095, 27257}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{31029, 24055, 23168}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{108015, 84447, 84187}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1636226, 1540783, 1471478}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{23492, 78373, 21209}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{53650, 50570, 40239}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{100111, 80766, 86502}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{1, 45679, 46462}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{93560, 82514, 107372}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{57898, 53871, 55691}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{100924, 94100, 94140}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{1, 1, 163563}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{101702, 92435, 88805}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{95375, 48553, 62819}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{24117, 29731, 33037}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{23986, 31583, 29075}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1441177, 1674454, 1683207}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{53737, 66616, 63066}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{176454, 204900, 217561}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{65501, 75367, 75525}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{1, 17912, 21516}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=75.81, \
overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{104867, 97519, 1}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{93585, 67009, 59108}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{42746, 42976, 64134}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{175299, 240420, 218920}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{1, 57583, 52035}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{34074, 33379, 36226}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{206004, 170199, 188977}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{1, 1, 49449}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{1, 374052, 380066}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{17534, 29642, 25951}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{656642, 896980, 802481}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{34710, 33373, 41787}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{27267, 29356, 31224}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{419180, 414528, 419250}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{20696, 25441, 18030}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{21757, 37709, 34383}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{66179, 86260, 78281}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{102946, 116918, 144627}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{506355, 573330, 611452}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{79012, 66218, 79387}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{70191, 61420, 70060}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{276072, 268726, 281545}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{216803, 223685, 266640}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1801242, 1782697, 1808212}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{97116, 116659, 110126}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{38332, 32549, 40452}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{76029, 61344, 55165}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{29960, 27508, 31828}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{132581, 147513, 1}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{2376184, 2757002, 3239593}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{379518, 405734, 494512}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{144371, 155586, 218180}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{45249, 45468, 37381}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{172465, 169736, 224378}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{416455, 504869, 679776}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{27822, 28835, 32654}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{43695, 17545, 1}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{18286, 83155, 19707}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{193942, 199967, 223383}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{54857, 102393, 53896}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{48522, 49880, 46184}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{165479, 232632, 231395}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{92084, 77048, 100364}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{33111, 43262, 41504}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{32970, 45281, 33171}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{709326, 694813, 881633}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{39231, 42656, 41114}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{108370, 91540, 98548}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{4808001, 5713677, 5122425}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{1, 28433, 1}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{18886, 19824, 13035}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{565345, 693546, 565662}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1, 731084, 1059166}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{31165, 30143, 28228}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{48249, 48305, 52918}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{22412, 15704, 19616}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{46808, 44664, 47033}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{81519, 63167, 64274}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{9271046, 8647289, 8946520}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{622275, 629020, 378456}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{30793, 19879, 14560}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1075463, 1060370, 1024864}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{68705, 71008, 72273}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{70669, 30518, 66186}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{52950, 49972, 46040}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{59211, 17430, 37275}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{38343, 76243, 58150}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{915360, 1227813, 1048307}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{95588, 244215, 265670}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{121331, 101665, 151979}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{182305, 143020, 136848}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{18715, 15259, 15724}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{1, 1, 29748}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{451478, 581127, 553373}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{25257, 25645, 23912}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{1, 44699, 43346}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{643695, 748305, 789680}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{33074, 44643, 64309}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{810398, 653719, 760936}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{118410, 91682, 115306}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{19969, 19063, 20759}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{70372, 73973, 86088}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{51762, 24204, 54515}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{45763, 43866, 44804}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{129942, 72283, 113516}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{3655114, 2457904, 2859963}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{664880, 431991, 476340}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{450862, 219103, 324404}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{511833, 321891, 449144}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{78980, 56338, 76319}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{177655, 172881, 184616}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{42245, 1, 32407}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{3582151, 2078434, 2797473}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{26740, 41009, 41617}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{27913, 23060, 34555}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{1, 21475, 30808}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{76685, 1, 1}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{178469, 193533, 187870}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{21371, 24362, 20700}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{51549, 28675, 37340}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{188564, 194004, 220712}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{87979, 81073, 85752}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{53693, 48779, 47452}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.78*^7, 1.77*^7, 1.84*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{64246, 58614, 69305}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{67501, 1, 94190}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{107986, 89660, 99872}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{90889, 98190, 104565}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{25019, 45845, 18783}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{241126, 235994, 232506}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{28639, 28015, 28404}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{52174, 48400, 50728}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1460768, 1417405, 1466826}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{109205, 144271, 141367}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{1, 33859, 38016}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{141454, 115844, 107869}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1633532, 1662226, 1599237}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{1, 127272, 1}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{114226, 151433, 153453}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{35534, 33475, 36090}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{79713, 80070, 71884}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{35860, 1, 45711}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{259444, 261722, 270724}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{40641, 50386, 54113}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{1, 37043, 34323}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{29507, 29676, 29678}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{53941, 51043, 56037}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{1055890, 954083, 963241}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{18497, 18727, 19759}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{1, 292611, 277121}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{152358, 149171, 144363}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{77816, 70066, 53893}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{90003, 91711, 77055}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{16932, 21310, 17478}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{210868, 245107, 237545}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1552794, 1632173, 1555364}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{1, 23073, 28271}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{37655, 33975, 34965}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{43131, 60820, 27958}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{53496, 51732, 65514}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{41647, 50570, 52654}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{2078051, 1956345, 1980942}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{21541, 25258, 20305}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{34331, 32229, 38361}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{499375, 564896, 542413}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{65142, 54135, 54199}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{88995, 52761, 33576}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{107989, 108863, 133810}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{88778, 74300, 74535}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{42957, 30425, 32621}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{4820855, 5485744, 5630261}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{315336, 333864, 249637}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{58903, 60347, 51984}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{23675, 33072, 27906}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{30952, 53175, 31609}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{112819, 157907, 137147}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{80787, 45109, 35071}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{308098, 308693, 281680}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{285983, 411510, 327659}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{94487, 58481, 49208}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{133790, 117542, 121736}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{25511, 21783, 57627}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{35928, 26417, 26744}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{521105, 568362, 560416}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{26947, 27673, 25804}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{144383, 108180, 106357}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{1615936, 895223, 1206217}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{23536, 33118, 27573}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{92895, 51058, 38170}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{2013544, 1425986, 1484235}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{137799, 149734, 149577}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{1.41*^7, 8724382, 1.11*^7}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1942179, 1418278, 1484627}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{87811, 106496, 66216}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{73450, 32287, 31420}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{299783, 222205, 230990}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{31822, 1, 24017}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{520314, 184877, 229426}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{106751, 101595, 97207}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{23439, 28163, 36490}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{164383, 150687, 153094}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{271687, 268936, 279649}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{77145, 72054, 74461}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{2249348, 1637272, 1921325}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{41260, 35068, 46195}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{49817, 51491, 58548}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{60330, 57678, 42945}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1619268, 1577724, 1691898}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{116125, 99722, 103549}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{109729, 125774, 137489}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{132520, 88563, 151710}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{22706, 18701, 18053}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{67106, 64183, 64558}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{29073, 26326, 27752}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{20441, 19452, 20332}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{107412, 125455, 147474}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{502198, 618434, 627353}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{159023, 183533, 153647}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{47157, 38037, 34225}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{29179, 30527, 24175}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1534316, 1560826, 1471293}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5010744, 7199792, 5099289}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{108679, 124419, 116728}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{96552, 79568, 88759}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{891058, 1129692, 889546}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{90365, 79150, 65569}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{440131, 444761, 369856}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{89510, 115680, 100171}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{78501, 82362, 77714}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{46507, 52178, 42210}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{22817, 17631, 20068}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{39562, 36991, 35633}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{104055, 68808, 96177}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{397933, 457390, 410038}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{1.79*^7, 2.03*^7, 1.83*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{211079, 241921, 193398}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{40901, 25253, 20862}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{626920, 700659, 591290}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{7882887, 8567822, 8012896}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{29106, 31753, 25801}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{108575, 119193, 102575}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{10654, 1, 8884}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{277749, 228135, 257010}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{68374, 69317, 61084}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{318356, 352407, 302273}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{76919, 78795, 64789}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{18193, 28170, 26859}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{199252, 132692, 171064}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{56746, 53832, 47299}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{24720, 25712, 29557}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{79284, 76106, 66497}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{47767, 48366, 62748}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{176853, 202350, 218055}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{130410, 107528, 113243}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{691646, 627091, 638925}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2051621, 1988320, 1839644}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1676345, 2143645, 2635112}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{183595, 193638, 191506}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{72729, 99269, 139032}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{152127, 125926, 116039}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{22402, 21817, 22479}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{40048, 34447, 29907}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{2618100, 2832855, 3292343}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{222179, 96414, 105564}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{217957, 164114, 155542}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{132063, 181992, 128571}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1693644, 1806032, 1911342}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{74665, 114582, 92345}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{475589, 524015, 589403}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{1, 1, 67265}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{69751, 56185, 67227}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{142510, 148353, 124465}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{34353, 45123, 29054}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{66458, 59326, 1}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{24628, 21293, 117125}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1758633, 1, 1602044}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{128098, 126351, 173559}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{175668, 261182, 227050}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{414438, 410078, 378184}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{2707927, 1, 2493914}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{1, 212797, 1}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{20991, 19082, 1}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{95961, 98085, 97933}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{223457, 201921, 235202}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{78178, 68166, 65060}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{222214, 182131, 203413}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{73491, 238741, 68285}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{63650, 48705, 50668}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{11898, 2568265, 16127}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{1086337, 826808, 965345}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{31862, 1, 23323}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{41942, 37627, 42762}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{29996, 24242, 32258}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2366128, 2332491, 2120506}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{900878, 663530, 808006}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{52979, 41736, 46965}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{29227, 21671, 22895}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{31217, 27612, 28113}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{254269, 193657, 225967}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{78079, 54460, 62628}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{59715, 43948, 40430}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{61318, 47552, 54045}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{44276, 46862, 41259}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{275210, 273558, 245377}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{258101, 193064, 1}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{74920, 138013, 1}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{33436, 32597, 30456}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{120276, 92115, 93500}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{28259, 18728, 26657}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{28083, 19523, 24799}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{323695, 327261, 249446}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{50305, 1, 1}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{39922, 56639, 72375}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{256226, 268074, 273389}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{147491, 154161, 148319}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{55477, 66339, 60266}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{36775, 1, 49093}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 40098, 39446}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{92505, 81070, 49624}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{176966, 274377, 231149}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{43439, 37798, 34490}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1367634, 2266571, 2223532}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{86250, 65106, 78985}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{249150, 266960, 321042}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{52012, 62516, 65570}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{128585, 109264, 104353}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{22718, 29119, 31884}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{502933, 506301, 558212}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{76794, 98471, 95377}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{48144, 1, 36276}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{31853, 51929, 37977}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{25332, 23061, 20053}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{124617, 178263, 151321}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{117896, 89959, 178755}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{187153, 370268, 388207}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{502941, 313686, 376484}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1829822, 1130799, 1413040}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{110923, 92223, 104051}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{281996, 237890, 239795}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{95231, 121953, 99817}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{597832, 585322, 638839}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{630280, 298432, 454957}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1862397, 1218003, 1453728}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2297617, 2648541, 2507651}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{826116, 776445, 799213}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{72598, 71221, 105097}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{89192, 63321, 99131}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{606702, 609041, 617265}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{38270, 25459, 32962}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{311058, 321748, 333377}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{45138, 45651, 43300}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{40919, 46109, 31239}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{169268, 164767, 183953}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{54732, 51138, 62027}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{32262, 20935, 16278}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{81435, 70556, 74536}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{552312, 507454, 594315}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{5.61*^7, 5.52*^7, 5.71*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{49308, 51579, 53986}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{79873, 79029, 82811}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{62991, 73706, 74014}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{17304, 14624, 18890}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{99509, 77785, 62429}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{60014, 40507, 35883}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{190426, 178841, 186847}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{38872, 36321, 36829}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{24322, 28268, 23496}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{26467, 29990, 32062}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{71364, 72393, 66035}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{128013, 118371, 101268}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{286016, 257280, 253190}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{54365, 66708, 57670}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3448767, 3451964, 3268119}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{24273, 30561, 39726}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{68867, 94270, 81172}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{42844, 25350, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{1, 33455, 29670}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{37282, 48353, 43545}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{14324, 14337, 1}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{56787, 45372, 1}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", 
      ""}}, {396.3237, 13.99129, "Meta"} -> {{1, 52568, 1}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{97466, 111596, 90243}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{84816, 96309, 75082}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{172732, 228536, 229492}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{49188, 63120, 71260}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{14449, 23059, 11439}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{55047, 74023, 61443}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{1, 83169, 64955}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4238142, 5358689, 4640636}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{1, 18217, 21664}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{982824, 1004910, 872105}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{101469, 143209, 147079}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{1, 1, 1}, {"1beta,25-dihydroxy-2beta-(3\
-hydroxypropoxy)vitamin D3 / 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ \
C30 H50 O5, db=66.81, overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", 
      ""}}, {268.2404, 14.006146, "Meta"} -> {{144726, 140782, 141584}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{184070, 238457, 196345}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{55784, 63182, 17253}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{48544, 58680, 52444}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{37115, 47547, 49192}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1426918, 1514632, 1512523}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{107399, 101534, 82110}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{200225, 208165, 148496}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{65021, 26339, 69460}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{1, 40399, 1}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{547953, 512239, 473461}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{38310, 41105, 25274}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{66903, 76796, 67946}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{96769, 89223, 85770}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{119394, 115558, 117234}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{643580, 448747, 511372}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{75997, 77024, 81535}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{36660, 1, 36480}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{1521609, 1034678, 1118164}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{14293, 27392, 45921}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{650400, 1212793, 1843393}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{38223, 25336, 44467}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{172241, 143223, 153748}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{38917, 34740, 36319}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{212662, 223943, 227596}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{304990, 312356, 325676}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{207931, 204767, 216165}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{269755, 189779, 227068}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{1117339, 779094, 864429}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{869923, 672561, 761295}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{307470, 361271, 347909}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{82519, 55411, 52453}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{7562301, 5272147, 6232185}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{1, 73046, 87766}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{52703, 50925, 51563}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{583265, 672221, 714345}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{962687, 1124592, 1020638}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{347391, 354316, 356354}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{99274, 131637, 88558}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{80913, 71393, 45697}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{990013, 1046857, 991344}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{519149, 578154, 568524}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{20665, 24004, 21626}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{41309, 25426, 1}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{23758, 29123, 30419}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{23565, 25795, 25384}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{61703, 50071, 55694}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{140099, 151566, 133704}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{24360, 31007, 28001}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{7.84*^7, 8.39*^7, 8.34*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{53396, 44649, 33038}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{20904, 26846, 22310}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{21348, 20073, 17108}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{68322, 123871, 101358}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{65652, 64870, 56557}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{1, 11323, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{35056, 40062, 29764}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{109103, 106158, 115315}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{14265, 1, 16678}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{1, 18352, 1}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{121658, 119473, 104277}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{1, 16119, 1}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{292231, 451197, 390206}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{162391, 151624, 159925}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{30439, 28671, 26391}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{10180, 15600, 11651}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{1, 9035, 1}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{63642, 75131, 74121}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{63852, 71059, 65301}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{239165, 230643, 236980}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2551660, 2590911, 2455353}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{1009307, 953264, 1010409}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{141703, 113262, 1}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{21140, 33685, 27369}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{18807, 22869, 20076}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{451120, 1, 390961}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{1, 36964, 57047}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{28320, 29427, 17780}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{74528, 126372, 91970}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{25840, 25361, 27098}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{31097, 19314, 16622}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{1, 684134, 301608}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{26581, 28543, 67380}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{21450, 22716, 20786}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{1, 49579, 52727}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{320992, 306678, 346627}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{50189, 50252, 59932}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{49043, 55905, 67657}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{54555, 125114, 55591}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{45428, 68915, 52213}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.33*^7, 1.23*^7, 1.2*^7}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{92689, 93005, 102433}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{577194, 254671, 233737}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{209280, 229204, 258355}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{3444005, 2422717, 2788772}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{3.11*^7, 2.3*^7, 2.58*^7}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{51130, 48587, 52819}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1560660, 1153105, 1183415}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{167124, 139024, 154388}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{5379904, 4350404, 4663859}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{70257, 49642, 49884}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{215823, 203995, 226776}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{1087186, 816115, 937409}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{1.52*^7, 1.33*^7, 1.21*^7}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{62717, 62084, 55383}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{74726, 108266, 1}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{384651, 389742, 380180}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{733341, 792608, 806457}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{242906, 169055, 250731}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{114995, 103668, 111372}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{12793, 17146, 18814}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{68186, 78499, 70990}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{1826556, 1975286, 1904665}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{201615, 189448, 163754}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{1, 19669, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{239407, 203053, 214765}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{81802, 87050, 110264}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{116674, 144742, 167886}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{39231, 34208, 33706}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{119717, 107819, 101214}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{1, 33379, 39193}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{19107, 24315, 19183}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{2351247, 2045656, 2122577}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{538322, 510275, 518230}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{125541, 141524, 115372}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{90439, 84449, 67636}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{1, 105212, 57405}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4293583, 4340101, 4994849}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{151714, 139498, 152530}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{51997, 48823, 50346}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3373085, 4166150, 4059102}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{1151124, 1085193, 1177051}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{122212, 117892, 101075}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{21208, 22167, 24039}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{80302, 68926, 87911}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{293419, 342639, 306837}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{500747, 403551, 382448}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{19693, 20614, 27399}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{193224, 219436, 226886}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{47399, 42548, 38120}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{162212, 173675, 163779}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{30769, 1, 29021}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{25348, 28190, 27721}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{414071, 397323, 334885}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{343131, 341016, 211867}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{76254, 83499, 77861}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{206036, 157313, 138856}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{1, 1, 53594}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{56479, 67170, 61674}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{64668, 73672, 75710}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{81537, 97434, 108223}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{269682, 200240, 222241}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{23182, 24274, 27871}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{194602, 150727, 1}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{2774617, 2692812, 2818301}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{129247, 124791, 134492}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{49027, 51248, 49659}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{327417, 364577, 364212}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{24921, 24872, 19125}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{351482, 325304, 312513}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{438111, 1, 515264}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic \
acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= ]"\
, ""}}, {350.282, 14.253435, "Meta"} -> {{34743, 30570, 28164}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{86846, 100776, 1}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6112591, 1.43*^7, 1.5*^7}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{225012, 168762, 251978}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{37260, 86140, 62610}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{27371, 28551, 34230}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{98455, 108020, 89221}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{440486, 883507, 1182945}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{79053, 80128, 81792}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{57972, 68883, 80981}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{122494, 126339, 133709}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{33820, 69639, 1}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1298794, 1236755, 1257782}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{73428, 87168, 103084}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{448110, 432931, 364552}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{28608, 48326, 45764}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{20710, 23428, 23146}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{93912, 131355, 128940}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{349546, 556631, 480395}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{77496, 92678, 93055}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{61191, 83664, 100681}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4617518, 5552041, 5894439}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{158564, 197101, 183195}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{87424, 94493, 1}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2818535, 3265570, 3320832}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{38998, 39012, 38958}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{313200, 352491, 411799}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{42190, 38160, 43812}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{53452, 59027, 60728}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{69274, 41536, 41672}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{606266, 549329, 514412}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{45391, 40156, 41927}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{325905, 1, 1}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{563648, 673254, 659357}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{5863047, 1, 1}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{44303, 1, 28268}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{61973, 65391, 1}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{600785, 716447, 763764}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{32846, 1, 1}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{251606, 221131, 193029}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{36495, 38198, 48669}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{437891, 363267, 569617}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{175354, 168384, 207514}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{45020, 125937, 1}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{3683645, 4474715, 4512356}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{138641, 110827, 114616}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{79966, 80831, 87197}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{398121, 451534, 455744}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{805835, 935461, 885895}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{25460, 38902, 41271}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{146924, 140646, 146501}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{274124, 1, 250242}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{81199, 99226, 47579}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{27514, 21252, 22678}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{322691, 248675, 197499}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{20099, 19097, 20294}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{104566, 102013, 69801}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{24878, 28588, 27191}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{113699, 115299, 114823}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{17799, 23704, 25949}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{619765, 651172, 617474}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{19803, 24250, 22542}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{69736, 64839, 63865}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{366623, 422431, 443706}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{57872, 63204, 52022}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{4.35*^7, 4.29*^7, 4.34*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{56681, 71713, 63661}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{48647, 49878, 52153}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{93251, 118989, 97635}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{34634, 35840, 33806}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{141932, 134128, 135138}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{40307, 41740, 37565}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2610858, 2289925, 2193852}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{40168, 25687, 18677}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{111368, 125843, 100144}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{283915, 305133, 265949}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{366429, 344804, 414635}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1315484, 1414516, 1440154}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{96669, 109172, 120817}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1686158, 2065012, 1820221}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{280054, 298686, 308045}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{44257, 1, 98638}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1874485, 1696823, 1735547}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{319534, 384836, 432820}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{372013, 545766, 672180}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{692533, 871758, 905026}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{1, 26546, 23772}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{36819, 94432, 73595}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{241161, 1, 1}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{34740, 56522, 47373}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{203062, 307709, 324048}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{68629, 105986, 154284}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{181813, 61666, 1}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{329588, 463305, 486314}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{1955061, 2207040, 2333813}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1115544, 1059073, 1077877}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{36140, 53594, 48413}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{3038307, 3206133, 3327971}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{37956, 1, 39022}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{1, 384232, 384511}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{35117, 29722, 22397}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{29914, 46704, 42982}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{38123, 327101, 320585}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{22211, 26941, 1}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{1800587, 2129071, 2121480}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{31319, 36433, 41756}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{24413, 23791, 13792}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{218040, 230820, 255821}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{186455, 228605, 280441}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{377766, 389951, 417805}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 305848, 356036}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{3544517, 2525800, 4047184}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{71858, 50459, 46330}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{1041414, 988741, 1051351}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{79300, 122873, 78529}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1342935, 1631327, 1658507}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{361174, 393005, 408531}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{56946, 32287, 47456}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{176703, 197541, 137801}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{202670, 178768, 177371}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{419548, 283138, 326122}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{922083, 554365, 664574}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1283504, 1668041, 1659517}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{448182, 493526, 537564}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{334573, 556351, 1}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{46936, 36697, 39818}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{64698, 176079, 1}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{95465, 95863, 100687}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{37347, 51695, 44265}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{591880, 1085493, 978775}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{29957, 31470, 32462}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{282969, 344512, 499676}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{84650, 109411, 106255}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1147759, 1192799, 1220927}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{1, 541347, 577819}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{1, 167590, 163132}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{1, 320410, 318105}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{129093, 156581, 1}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{40343, 38108, 38702}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{155874, 203744, 194840}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{124234, 142973, 107225}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{35357, 42957, 59669}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1780694, 1965592, 2066475}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{310588, 303634, 310625}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{181164, 87816, 79862}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{882439, 821767, 1}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{95243, 93213, 94964}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{145592, 117335, 123434}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{846823, 744173, 751798}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{35980, 15280, 21787}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{187107, 182905, 226750}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{49409, 92180, 1}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{182508, 179703, 219568}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{202480, 1, 1}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{102139, 88320, 76833}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{68547, 59813, 57237}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{40773, 37449, 28993}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{72958, 63492, 56175}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.38*^7, 2.32*^7, 2.21*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{89934, 253905, 263679}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{1, 1, 9884}, {"Hexacosanedioic acid [ \
C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, Lipid ID=LMFA01170040, KEGG \
ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> {{103920, 121486, 115917}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{76487, 91637, 68696}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{59775, 50040, 67367}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{168340, 155886, 237415}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{38393, 37907, 38742}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{30032, 29503, 32227}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{133685, 127729, 147911}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{36252, 87225, 110341}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{129947, 127615, 117046}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{73183, 64154, 82831}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1925950, 2047942, 1863444}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{757013, 1033168, 1354700}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{214175, 201563, 164053}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{715413, 652045, 639365}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{182368, 121851, 82290}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{422163, 466804, 461642}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{2061162, 2017370, 2026254}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{72324, 82144, 98013}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{99984, 60863, 1}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{108508, 96756, 95878}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{324801, 284235, 316029}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{193293, 200223, 61000}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{198335, 193446, 200066}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{570312, 608146, 621183}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{43514, 41611, 38505}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{77808, 77961, 83633}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{30313, 27963, 35206}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{27117, 17051, 18790}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{499830, 504367, 481069}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{61342, 57517, 54236}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{85873, 85963, 86126}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{112301, 114389, 126895}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{143518, 148257, 151521}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{171188, 172029, 174839}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{69060, 75759, 64439}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{103610, 1, 75490}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{54574, 53169, 51735}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.15*^7, 3.06*^7, 3.09*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{150529, 107242, 126057}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{44762, 47003, 45987}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{106761, 91495, 131226}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{58784, 68713, 65297}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{501441, 486764, 468274}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{447859, 488836, 406821}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{74467, 44796, 46002}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{130941, 159317, 146136}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1446011, 1478463, 1289419}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{89622, 88820, 91917}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{744488, 1173377, 863576}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{1, 480322, 689005}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{105441, 1, 1}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{207684, 150517, 139610}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{79353, 58978, 44911}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1143081, 1080751, 1158788}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{194404, 143170, 162270}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{116711, 111107, 108698}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{92382, 20919, 1}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{247626, 251418, 258397}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{99929, 107268, 120031}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{360805, 503698, 507245}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{62311, 61057, 60142}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{69509, 76178, 97586}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3131531, 3175536, 3248955}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1240153, 1328004, 1357618}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{41072, 39869, 41969}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{224253, 242358, 217344}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{307220, 301523, 305196}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{94520, 90299, 89094}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{501153, 458173, 543219}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{120696, 126462, 117724}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{68251, 67205, 64012}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{229236, 263965, 300869}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{46414, 66177, 55812}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{98869, 100541, 104682}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{187292, 166678, 189984}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{169127, 173302, 184745}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{138140, 137365, 153695}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{52873, 151529, 303293}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5bet\
a-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{54729, 1, 47118}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{160480, 160431, 165462}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{844953, 724214, 1215835}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{160662, 159534, 148609}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{876103, 983521, 1043758}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{143873, 125926, 145846}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{779531, 898127, 1063650}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{75143, 96309, 84636}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{50384, 45084, 1}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{41691, 45008, 41145}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{233170, 186541, 171820}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{46265, 41872, 40483}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{214029, 194603, 199099}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{21770, 21767, 19436}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{66099, 65579, 68078}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{87917, 98776, 96059}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2039932, 2008845, 1906436}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{39584, 39660, 40033}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{462755, 1, 674692}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{89875, 87872, 92051}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{54210, 74997, 61008}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{49592, 48503, 49515}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{128373, 84870, 1}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{241177, 239743, 257836}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{85967, 68850, 79736}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{266838, 263910, 274441}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{973991, 886549, 948457}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{188627, 168518, 191087}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{312550, 302159, 368005}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{289520, 270097, 261415}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2919198, 2804367, 2458020}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{46113, 40217, 35851}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{47081, 46225, 24799}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{1, 65678, 89016}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{254239, 240132, 189842}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{232995, 243397, 249985}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2835770, 3102170, 3410127}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{88605, 90475, 124802}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{93433, 90999, 91525}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{21078, 19969, 14725}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{57065, 24672, 1}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{80216, 78548, 84633}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{100665, 146493, 136827}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{101481, 95435, 80497}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{193237, 189634, 191447}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1025320, 1049460, 1075279}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{26478, 29499, 26765}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{33662, 30322, 31751}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{86627, 80744, 79137}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{946041, 952677, 792767}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{215345, 214074, 206563}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{111532, 104295, 78961}, 
     {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", ""}}, 
   {552.4757, 14.950529, "Meta"} -> {{187484, 216534, 238491}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{27557, 31438, 32888}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{64534, 66221, 56734}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> {{107415, 96935, 85183}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{83166, 76219, 67759}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{460480, 463911, 1260334}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{33862, 37527, 38623}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{63017, 147647, 139241}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{19174, 1, 1}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{67434, 75631, 63327}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{1602404, 1556057, 1712433}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{1, 22203, 16414}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{1743760, 1704183, 1874650}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{59549, 54220, 35146}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{88578, 90610, 105206}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{228970, 198999, 171270}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{70321, 56371, 50607}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{542109, 424961, 710016}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{41764, 35574, 40763}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{282098, 273249, 276201}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{23641, 32814, 62167}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{691606, 867185, 1456473}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{107395, 104293, 50012}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2242709, 2311144, 2548814}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{59675, 60564, 59002}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1976080, 4237634, 7427892}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{73819, 72869, 55905}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{333120, 307155, 331917}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{135342, 113790, 97050}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{852613, 882450, 889128}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{53787, 45522, 56238}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{7151649, 6343195, 7267494}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{143069, 153512, 167200}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{46806, 59292, 47410}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{118168, 128522, 153585}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{58624, 67276, 68141}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{468450, 458171, 446616}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{351381, 335140, 350508}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{1, 288098, 230290}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{35120, 32854, 29128}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{75972, 69986, 40843}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3779482, 3878658, 3473582}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{65308, 58123, 60168}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 93128, 53684}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{91705, 96001, 102380}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{1, 1, 51916}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{59697, 46451, 61926}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{63086, 47840, 44574}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{66523, 57898, 67628}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{2440712, 1, 2065445}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{45320, 45485, 44427}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{53627, 44243, 44072}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{62474, 57002, 66387}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{73903, 117338, 103509}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{119716, 105621, 104862}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{37554, 41059, 37223}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{54296, 70009, 1}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{196940, 204370, 227168}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{31864, 33225, 37296}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{297648, 320958, 362022}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1265617, 1427462, 1297121}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{377382, 463270, 515596}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{23249, 29157, 15568}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{40868, 36185, 33269}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{1813751, 1879179, 1685301}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{76531, 67543, 69957}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{5744560, 5777942, 6057009}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1127736, 1410166, 1097269}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{181967, 200908, 217133}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{109400, 98260, 93438}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{32361, 23776, 19139}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{218612, 188297, 161946}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{2.29*^7, 2.13*^7, 2.26*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{33596, 40229, 42200}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{1, 1, 110119}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{39348, 34532, 49595}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{125080, 134035, 144422}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{20873, 24148, 20864}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{123434, 130628, 130004}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{76640, 69802, 72778}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{421805, 461214, 464860}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{44269, 33930, 19067}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{37076, 49761, 41388}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{25992, 29361, 22267}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{238605, 251288, 285764}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{118058, 141250, 118509}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{32109, 32957, 25673}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{63352, 115321, 126802}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{131049, 155901, 135713}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{108716, 104128, 112770}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.35*^7, 1.49*^7, 1.3*^7}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{206274, 215446, 205935}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{6053732, 5879686, 5865748}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{88782, 87613, 103569}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{203685, 235719, 213540}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{33638, 28357, 39475}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{95420, 102554, 109209}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{25448, 19652, 28800}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{16397, 20411, 14455}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{83738, 83902, 152336}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{1, 3060225, 1}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{3595471, 3631378, 3567968}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{24657, 26032, 26008}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{252185, 351695, 313873}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{29525, 61684, 1}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1647285, 1567054, 1575365}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{11822, 19697, 1}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{8874662, 1.*^7, 9216284}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{1234540, 1128472, 1075238}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{65314, 78239, 74605}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{204105, 203692, 256222}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{270211, 261576, 239913}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{29694, 28345, 28235}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{26947, 19215, 13939}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{55058, 44795, 52671}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{195910, 212720, 195976}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{31820, 23653, 19924}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{27138, 1, 22683}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{646567, 614069, 544659}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{1, 54447, 33098}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1549866, 1487375, 1328318}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{3360741, 4634914, 4173125}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{21013, 21538, 22224}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{394663, 440389, 399747}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{123912, 114177, 111532}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{995429, 1021901, 993938}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{217250, 190420, 186252}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2337458, 2284240, 2056694}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{39667, 38537, 38062}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5792568, 5720896, 5384274}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1087582, 918895, 1057071}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{298790, 273976, 291540}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{258395, 266151, 264744}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{66996, 1, 1}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{98692, 108610, 97775}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{28236, 26275, 25812}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{670886, 751048, 627200}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1171296, 1028613, 1092443}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{38809, 33213, 47229}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{69819, 71980, 71922}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{558571, 482534, 458719}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{3020390, 2756382, 2991691}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{64986, 72314, 75117}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{1210494, 1141473, 1193729}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{67431, 60213, 61021}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1199593, 1141950, 946353}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{208309, 223178, 229612}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{124373, 132796, 128271}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{1, 1, 1}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{22151, 30911, 24388}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{258559, 259247, 259950}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{70338, 73845, 68443}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{105535, 77790, 84806}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{75404, 77206, 78464}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{297490, 261721, 275036}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{2628884, 2626606, 2643351}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{100887, 85361, 87606}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1785152, 1738060, 1583717}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{235694, 218664, 236815}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{5793185, 6156549, 5842695}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{17860, 20873, 18917}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{58512, 52215, 55427}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{211647, 193657, 166315}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{809213, 838840, 909164}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{308527, 220065, 217732}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{113662, 86520, 104931}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{1559169, 1613907, 1842352}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1359085, 1308041, 1223988}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{23921, 27357, 23842}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{267182, 258223, 288927}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{104032, 100534, 116813}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2555862, 2002913, 2310111}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{635010, 508752, 574747}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{61702, 70813, 64787}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{340444, 237344, 254071}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{155013, 179022, 202573}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{463845, 520602, 480136}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{120091, 120947, 119918}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1417350, 1038752, 1164764}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{194571, 196238, 224211}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{244223, 236747, 240334}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{134681, 95756, 99015}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{176294, 209904, 229153}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{92209, 118142, 120962}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{196979, 246096, 234695}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{70845, 80724, 76549}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1205422, 1286911, 1389135}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{173243, 148380, 181677}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{624126, 327081, 394800}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{86031, 121192, 136934}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{32024, 29583, 22037}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{215900, 116672, 311344}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{68200, 74716, 56933}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{57523, 72845, 75225}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{468562, 555557, 573375}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{49222, 79477, 76295}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{245001, 292027, 264163}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{43454, 97779, 76239}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{16013, 30189, 30671}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{77201, 117724, 121147}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{418523, 456481, 442019}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{36392, 47488, 52419}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{882788, 991489, 1072788}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{769310, 615269, 701380}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{36165, 40000, 35628}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{72834, 84194, 88723}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{53690, 63013, 77106}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1580318, 1144877, 1371380}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{73902, 54942, 57821}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{110305, 52259, 66496}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2022393, 1618048, 1520190}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{208747, 191170, 160556}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{411766, 470896, 525118}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1842374, 1993451, 1935276}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 179817, 142765}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{40630, 45443, 52825}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{108352, 108579, 131039}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{221948, 234870, 213082}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{248855, 169489, 468780}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{24279, 50766, 61159}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{261281, 277033, 361088}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{663802, 669201, 1262129}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{174217, 151714, 150077}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{50198, 68239, 1}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{1999323, 1154236, 1314527}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{378178, 313461, 329657}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{203423, 238121, 217734}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{127144, 75307, 70814}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{589991, 773780, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{45960, 52767, 68454}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{202265, 151350, 132249}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{151847, 197942, 197134}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{110049, 125817, 126416}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{162574, 181851, 195052}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{114281, 121755, 120385}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{388071, 401267, 411499}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{334809, 378592, 384272}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{69547, 75058, 88829}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{68597, 84783, 105506}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{394520, 428620, 520999}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{25149, 24334, 35757}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{594195, 614985, 828633}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{406713, 407713, 402564}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{48335, 53276, 60076}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{3440485, 2775191, 2680517}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{290736, 168843, 145688}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{2189182, 1455893, 1370322}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{72232, 101947, 109941}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{249244, 193403, 149806}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{349314, 370018, 394096}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{96737, 119763, 120561}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{29474, 33227, 27683}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{621040, 675124, 718719}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{24085, 24850, 24633}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{27214, 29301, 1}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{21804, 1, 17767}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{20482, 1, 1}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{19255, 20884, 1}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{13019, 14400, 1}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{17540, 17365, 1}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{11494, 1, 12749}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{160978, 179056, 176896}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{222155, 215608, 217254}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{233371, 198231, 172147}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{1, 350668, 299487}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{31682, 34244, 12503}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{307217, 336662, 355717}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{36445, 123434, 48456}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{323184, 346829, 328246}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{86676, 1, 96294}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{43183, 36220, 57997}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{100582, 93313, 90034}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{1, 144757, 164290}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{3974737, 1, 3634180}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{200002, 1, 220313}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{1, 48364, 64044}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{64313, 64065, 66450}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{199473, 194339, 1}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{95210, 96079, 99118}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{20204, 19563, 19795}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{24522, 27902, 33459}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{1, 18610, 15296}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{23691, 24178, 26108}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{1, 18601, 24580}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{26764, 1, 27615}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{71917, 86390, 88831}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{252524, 247306, 197974}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{1, 29719, 26511}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 25012, 1}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{17250, 24920, 23307}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{19555, 17140, 1}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{28315, 29367, 29338}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{16742, 18202, 19581}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{20488, 19222, 18251}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{24606, 28343, 27405}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{20291, 26094, 21260}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 12491, 1}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{39010, 37953, 30186}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{1, 14366, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{53005, 51170, 46002}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{1, 36123, 1}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{465361, 500943, 489700}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{41435, 42292, 37447}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{129095, 1, 70343}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{137312, 105565, 112875}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{1, 12685, 17559}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{190524, 219556, 252516}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{111499, 102968, 81995}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{23365, 18992, 16014}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{31762, 1, 1}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{38774, 29851, 1}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{1, 70075, 47481}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{1, 49243, 1}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{57862, 56615, 56632}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{30531, 32828, 30098}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{17880, 19339, 1}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{1, 1, 1}, {"Docosanedioic acid [ C22 \
H42 O4, db=91.02, overall=91.73, mfg=92.45, Lipid ID=LMFA01170037, KEGG ID= \
]", ""}}, {376.2806, 13.9918785, "Meta"} -> {{1, 177731, 153137}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{66435, 69271, 59390}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{1, 1, 1}, {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", 
      ""}}, {400.3356, 14.128222, "Meta"} -> {{51142, 48164, 1}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{565878, 458281, 506207}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{96497, 127448, 98315}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{18142, 1, 17098}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{21233, 23223, 19218}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{1, 142108, 100705}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{195915, 126717, 144753}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{746262, 669716, 705126}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{133416, 12513, 74730}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{107583, 89934, 115074}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1103981, 1, 842211}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{146913, 1, 161676}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{65357, 156267, 153532}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{170291, 194603, 194705}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{100424, 103977, 87518}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{32461, 1, 53462}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{15900, 21907, 16201}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{584660, 674246, 626520}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{21564, 28015, 19244}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{44785, 68822, 47314}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{75371, 86569, 82179}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 40152, 35237}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{177300, 197873, 193613}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{33169, 34441, 35868}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{115705, 127593, 109463}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{717878, 478589, 583462}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{59283, 54491, 55191}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 141056, 144062}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{1, 92250, 96894}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{285720, 289911, 305324}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{421553, 76990, 1}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{69109, 57494, 62677}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{67437, 72160, 73224}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{46161, 39520, 45164}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{31519, 1, 27279}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{1, 16466, 1}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{64230, 64379, 57944}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{54820, 33278, 38208}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{1, 27539, 22032}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{256560, 229931, 268659}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{48825, 45482, 41567}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{36296, 1, 21185}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{33727, 28792, 25059}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{1, 1, 34435}, {"(22S)-1alpha,22,25-trihyd\
roxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1alpha,22,25-trih [ \
C28 H42 O4, db=59.93, overall=29.96, Lipid ID=LMST03020315, KEGG ID= ]", 
      ""}}, {556.4324, 14.215158, "Meta"} -> {{1, 66011, 41727}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{53946, 105551, 1}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{165670, 1, 1}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{162325, 183306, 1}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{1, 1, 320196}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{40178, 36678, 27917}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{20666, 26009, 32471}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{18293, 1, 19958}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{25154, 41774, 23621}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{120170, 113444, 111775}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "14" -> <|{457.0024, 0.34764, "Meta"} -> {{15893, 21720, 12087}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{26183, 25342, 21673}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{17475, 14862, 11331}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{15646, 13592, 12949}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{19967, 17725, 19325}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{68606, 60467, 60374}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{45170, 37610, 38357}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{36938, 30045, 30293}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{13164, 14829, 13109}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{9738, 9718, 1}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{23100, 24551, 22455}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{17771, 15094, 14617}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{24357, 22494, 21934}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{25430, 24126, 23774}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{11648, 12784, 12213}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{20267, 19436, 17937}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{38240, 34602, 37204}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{62395, 55310, 55700}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{23710, 20793, 24250}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{77518, 71815, 72605}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{68194, 68557, 63151}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{58971, 58274, 55232}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{82729, 77855, 75943}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{50399, 48736, 43974}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{481005, 488466, 458387}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{22536, 21685, 22496}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{113491, 105961, 105338}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{59035, 54351, 55298}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{159864, 147788, 140175}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{79509, 79448, 77359}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{20768, 1, 1}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{309089, 296830, 287019}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{1, 23139, 21737}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{223487, 205137, 206765}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{45920, 1, 44356}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{399643, 383747, 1}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{38035, 32801, 1}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{823321, 780440, 758659}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{505438, 462449, 456230}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{896201, 842855, 838075}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{25299, 23314, 22978}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1457770, 1390822, 1390841}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1679023, 1583144, 1558060}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1169994, 1088418, 1073102}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1347728, 1254985, 1213281}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{21096, 18017, 20092}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{723601, 693156, 680826}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{66385, 56339, 62818}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3355923, 3181327, 2885576}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{45212, 41506, 42772}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{69371, 61604, 62022}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{55728, 46688, 47152}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{18579, 1, 16035}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{63739, 60214, 60736}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{36193, 33320, 31462}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{73326, 62886, 66306}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{57567, 44694, 46494}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{18008, 17227, 16619}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{17446, 16730, 13116}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{17183, 13293, 11143}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{14127, 13377, 13239}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{196204, 177909, 186381}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{711492, 686603, 687605}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{176077, 159588, 169488}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{155572, 130717, 143157}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{126881, 98903, 127663}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{28009, 27399, 21083}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{1, 1, 45761}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{116465, 86644, 89701}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{302287, 357847, 332961}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{89403, 82421, 1}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{344484, 334685, 1}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{110683, 106501, 105170}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{127213, 120902, 118290}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{204465, 186999, 197737}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{23774, 20343, 24132}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{31950, 29801, 27440}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{83197, 87116, 81914}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{77753, 1, 73276}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{145538, 123581, 128714}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{105287, 99918, 85623}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1568082, 1514053, 1553116}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{139242, 123470, 122939}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{51790, 50284, 48036}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{1, 168262, 158144}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{8280458, 8151717, 8209318}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{64125, 110413, 61529}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{147883, 150166, 150098}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{48442, 50667, 53286}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{47963, 49721, 52187}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{62593, 72782, 121240}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{199736, 255349, 181475}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{215029, 287321, 197299}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{559953, 551199, 504597}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{70131, 55599, 65813}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{281088, 294667, 352578}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{105150, 85140, 79924}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{1057470, 947599, 950884}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{276198, 1, 251768}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1590289, 1648196, 1617625}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{51735, 64751, 40144}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{217752, 190668, 195987}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{167041, 130853, 1}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{590126, 537318, 532074}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{143902, 123188, 127469}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{44404, 53089, 35563}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{97061, 82658, 69103}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{115510, 119009, 99073}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{23546, 23877, 20706}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{410152, 356324, 312218}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{29383, 25285, 18051}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{176352, 179021, 185019}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{51475, 63252, 42114}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8548622, 5445414, 7220829}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{1, 1, 1}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", ""}}, 
   {280.0466, 0.5384857, "Meta"} -> {{187249, 136504, 148782}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{431798, 519748, 1}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{103604, 74809, 100427}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{1, 1, 98903}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{275437, 266073, 262830}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{124867, 118529, 161512}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{38054, 39229, 37890}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2049503, 1865505, 1859628}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{82494, 72285, 66460}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{123206, 136087, 121945}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{476448, 508678, 450742}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{23929, 33147, 41411}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{1, 52426, 83349}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{136501, 101993, 99915}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{102604, 136502, 134273}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{35006, 38575, 44204}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{19466, 18155, 19692}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{1, 92451, 89373}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.25*^7, 1.17*^7, 1.07*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 24566, 29166}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{414026, 483237, 543173}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{587918, 600165, 562802}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{47078, 39133, 32581}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{106777, 93368, 74356}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{26043, 34716, 27871}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{814749, 721514, 616160}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{60935, 1, 55361}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{22371, 24394, 23832}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{20591, 21180, 20505}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{24849, 26103, 22597}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{24312, 27345, 23353}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{18368, 17181, 12687}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{85022, 84922, 59047}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{49676, 35997, 24155}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{34216, 24326, 27317}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{28667, 1, 24595}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{200242, 178728, 189037}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{21797, 23770, 23998}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{115207, 86675, 92272}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{62667, 1, 60382}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{1, 259612, 251382}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{152641, 152090, 149080}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{1, 140500, 120375}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{101033, 103346, 102682}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{1, 278199, 287007}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{1, 75811, 46730}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{342403, 310307, 321142}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{39392, 40534, 36120}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{308254, 296198, 209213}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{47960, 68441, 36535}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{366728, 351559, 346785}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{270568, 217913, 219475}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5281310, 4974450, 4830345}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{1, 110539, 1}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{89066, 84427, 81098}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{39566, 36127, 37184}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1874749, 1821992, 1770850}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{126023, 119957, 116426}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{37516, 41699, 37257}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{1, 84375, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.29*^7, 1.23*^7, 1.19*^7}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{1, 194070, 253402}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1, 958174, 934903}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{2555491, 2288015, 2294869}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{138529, 121125, 1}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{154679, 138495, 140521}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{153113, 140300, 136988}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2778409, 2614232, 2550337}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{317818, 341022, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{165513, 131947, 115556}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{92195, 69050, 53649}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{5932926, 5079475, 5144080}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{1, 124341, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{1, 145015, 1}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{87435, 77904, 67518}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{129297, 104183, 107573}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{253114, 244549, 260060}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{62984, 49686, 83516}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{4.23*^7, 3.95*^7, 3.93*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1174860, 1032196, 1024590}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{122470, 120426, 1}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{83250, 77654, 82676}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{78492, 71415, 66642}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{51475, 43904, 49068}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{1, 46536, 44844}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{847701, 771483, 784024}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{489957, 337882, 174268}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{1137906, 1045630, 1036949}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{74158, 58779, 65922}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{63564, 59520, 62109}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{24227, 25113, 21121}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{55701, 51196, 48558}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{16162, 14133, 14848}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{104253, 96554, 90796}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 41501, 80698}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{585209, 460485, 371076}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{125197, 93948, 70419}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{91950, 75335, 62540}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{267247, 254868, 234182}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{48241, 43036, 41415}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{21181, 20052, 20113}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1313166, 1255073, 1219351}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{17941, 18937, 18027}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{145786, 127140, 131499}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{34389, 32229, 38074}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{18333, 18281, 20474}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{70712, 52295, 1}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{128308, 105660, 130733}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{19787, 18845, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{34824, 1, 1}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{63634, 60908, 51747}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{75757, 68999, 70280}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{40236, 35493, 43163}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{244539, 210705, 231093}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{334224, 310874, 302677}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{62450, 59993, 56297}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{123875, 129636, 116888}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{35213, 34026, 32051}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{46677, 45069, 45997}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{274055, 254398, 242397}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{113516, 91941, 103892}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{44874, 28544, 1}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{1, 22646, 1}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{327789, 301730, 278921}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{1, 26383, 26450}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{927936, 879097, 834814}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{28675, 25778, 22985}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{143998, 128373, 114341}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{38658, 40361, 56842}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{287813, 294329, 952514}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{27249, 28866, 22901}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{171671, 162458, 1}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{191662, 39813, 1144514}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{93461, 99081, 56698}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{71233, 74530, 161358}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.3*^7, 1.36*^7, 3.18*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{1, 34612, 1}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{80800, 86865, 222044}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{37569, 37055, 72236}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{802806, 746682, 721949}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{27743, 29177, 28627}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{22643, 1, 1}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{32128, 1, 18394}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{32655, 27665, 30003}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{41895, 38803, 37754}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{91793, 87399, 87681}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{37373, 35693, 36146}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{52090, 48419, 47734}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{391783, 364741, 380469}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{33463, 38189, 34596}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{48419, 40884, 41881}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{226304, 213729, 220821}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{112665, 139672, 106692}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{104881, 84843, 110359}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{47756, 38885, 36139}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{92190, 77308, 66538}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{106168, 101464, 1}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{23144, 1, 18233}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{21965, 20999, 60120}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{89481, 79327, 74994}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{446580, 417690, 389130}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{136725, 130274, 128732}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{29100, 25392, 24902}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{20025, 21197, 51740}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{87809, 89873, 89396}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{29039, 31104, 65508}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{462355, 456131, 409442}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{62996, 58532, 56172}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{41505, 34186, 33115}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{151754, 138304, 142069}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{75254, 69822, 65147}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{28799, 23347, 24450}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{68904, 64756, 55749}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{290885, 420621, 305619}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{137809, 96698, 104635}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{66219, 51638, 55297}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{88013, 60776, 84215}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{3730714, 2957242, 3287522}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{46320, 27907, 37010}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{154492, 126033, 148901}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{1175898, 941940, 1005594}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{511262, 392721, 483677}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{170684, 123486, 156167}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{91141, 80198, 85359}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{39414, 33153, 35865}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{291771, 258989, 247812}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{31851, 28717, 30851}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{47187, 75326, 65238}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{593540, 825278, 814336}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{81948, 108281, 109757}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{648910, 909070, 737088}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{55362, 70239, 64418}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{53415, 46527, 1}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{145316, 151589, 153966}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{65410, 71947, 58457}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{216286, 167868, 103580}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{1, 77328, 64777}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{138703, 120134, 128237}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{53696, 42271, 53764}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{36087, 29326, 23631}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{63031, 54848, 55822}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{48118, 44185, 44264}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{149955, 115701, 116173}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{38036, 1, 1}, {"9-oxo-2E-decenoic acid [ \
C10 H16 O3, db=76.22, overall=76.39, mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {181.1102, 9.214113, "Meta"} -> {{232121, 223513, 231485}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, CAS ID= ]", ""}}, 
   {542.2727, 9.303111, "Meta"} -> {{134596, 119137, 83640}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{32132, 31206, 33684}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{1, 1, 37514}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{41194, 52998, 57563}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{31703, 31630, 30716}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 73189, 69489}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{32580, 26082, 26907}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{154281, 129806, 150492}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{50849, 42438, 37474}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{33455, 31681, 31282}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{441417, 397631, 385820}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{239961, 221010, 211772}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{108770, 93400, 77319}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{55008, 49425, 49239}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{81508, 72581, 70539}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{32937, 39251, 1}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{36155, 29684, 32324}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{95522, 79243, 79717}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{1, 67787, 1}, {"(+)-Bornane-2,5-dione [ \
C10 H14 O2, db=81.69, overall=81.71, mfg=81.73, Lipid ID=LMPR01020034, KEGG \
ID=C03037 ]", ""}}, {230.0615, 9.670833, "Meta"} -> 
    {{814991, 715535, 728663}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{50812, 48337, 44154}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{56337, 61895, 58086}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{24043, 26828, 27838}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{581784, 515966, 512916}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{33784, 33751, 27891}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{35468, 33220, 32582}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{290416, 255811, 258269}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{61910, 44972, 53443}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{483517, 319100, 417971}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{34790, 26224, 36418}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{42381, 48815, 57421}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{63317, 54871, 53117}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{175827, 168035, 167568}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{47728, 1, 1}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{238007, 201417, 195888}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{72910, 63897, 61791}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{32088, 34291, 44249}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{104451, 89784, 91230}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{284213, 270070, 256604}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{32318, 27585, 23177}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{16871, 15876, 1}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{1, 13342, 13900}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{464863, 440799, 477711}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{58804, 57616, 50722}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{56496, 43380, 52146}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{67854, 90444, 103501}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{45885, 39897, 54410}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{121465, 110749, 109061}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{8585260, 7801981, 7900411}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{26037, 24525, 26723}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{309772, 301024, 304995}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{60126, 59772, 62844}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{109328, 103093, 107739}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{294922, 286247, 288943}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{40638, 36215, 40336}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{36845, 34093, 37921}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{51832, 32692, 28594}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{30201, 30840, 31171}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{76916, 75593, 76362}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{47702, 46452, 49981}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{43283, 35312, 40909}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{65841, 65178, 63187}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{664509, 584472, 611438}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{50080, 39494, 44995}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{156775, 140090, 138207}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{56671, 45025, 43781}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{1, 18548, 1}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", ""}}, 
   {228.1361, 10.230742, "Meta"} -> {{49764, 42505, 38957}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{437360, 423403, 405608}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{49843, 46963, 1}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{101076, 81981, 84196}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{53429, 49507, 48026}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{303042, 263867, 277514}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{24975, 19808, 20391}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{118801, 117117, 119961}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{126281, 43227, 216723}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{1764033, 362969, 1204918}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{330062, 1, 243622}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{701203, 602490, 652078}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{33942, 30459, 30950}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{73597, 70055, 62940}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{37656, 24424, 26684}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> 
    {{1, 1, 1}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=84.10, overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{19287, 19777, 17134}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{131523, 132301, 144628}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{42593, 34253, 32745}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{1, 23995, 22871}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{93538, 90042, 86501}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{30353, 26497, 28231}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{34391, 29567, 30000}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{785636, 672368, 649573}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{19088, 1, 20401}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{25692, 18877, 23606}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{323101, 266133, 300495}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{33978, 23659, 27635}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{48696, 39572, 50571}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{29266, 16979, 16296}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{95727, 84086, 96880}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{21035, 13426, 17335}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{60498, 52193, 70819}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{131635, 111255, 118010}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{34774, 35821, 42909}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{20141, 15843, 16406}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{633477, 540751, 577465}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{50806, 47224, 62445}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{85653, 83259, 84020}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{160619, 189565, 140411}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{29478, 20097, 28698}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{65225, 57615, 61714}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{627037, 600317, 588026}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{261781, 117452, 201724}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{30769, 27971, 25384}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{615781, 541258, 570903}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{26812, 21212, 1}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{129137, 1, 108750}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{126708, 117316, 109394}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{76380, 71788, 78678}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{170927, 149909, 159063}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{99200, 86778, 91616}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{363595, 393088, 397156}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{1, 13697, 17881}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{26554, 24736, 26714}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{1, 24023, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{159800, 108174, 110317}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{145073, 123350, 114963}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{246325, 216808, 222040}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{464987, 391473, 381259}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{20266, 17663, 15864}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{98450, 73711, 88498}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{123128, 81755, 105724}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{28568, 27829, 28433}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{97558, 109758, 85133}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{16766, 1, 1}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=79.09, \
overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{311289, 272468, 279936}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{96607, 68768, 85630}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{29187, 31354, 23503}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{45962, 39411, 48031}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{19057, 17353, 1}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{103550, 111721, 98736}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{46890, 39842, 41077}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{609503, 570969, 428101}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{17477, 19592, 19511}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{195245, 181484, 177896}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{547704, 480911, 476714}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{26353, 23772, 1}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{17594, 15190, 17322}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{130031, 122345, 116877}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{32327, 28962, 30355}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{53679, 50417, 51542}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{79781, 67770, 65993}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{64427, 55329, 54451}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{1, 1, 151977}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{27422, 25500, 25393}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{34349, 37369, 28798}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{13444, 15522, 16578}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{35917, 40769, 37190}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1657409, 1908728, 1742813}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{17814, 22811, 15669}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{87862, 83270, 80306}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{25459, 18901, 1}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{554523, 497416, 482871}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{55188, 57377, 45958}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{73168, 69402, 69328}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{47643, 55077, 43449}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{28586, 53194, 44288}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{248140, 220663, 251401}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{44390, 36132, 35919}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{52973, 47444, 43675}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{23140, 1, 35786}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{18192, 15959, 15718}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{108396, 104523, 97350}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{104985, 103132, 110757}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{4229093, 3798405, 3633571}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{42206, 37418, 38729}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{26120, 24574, 26616}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{10809, 10464, 11826}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{36360, 34538, 34376}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{85575, 82747, 80770}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{225119, 216028, 214806}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{44728, 39529, 42674}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{47880, 54024, 54956}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{36682, 1, 22159}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{27803, 27991, 1}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{100582, 103726, 98157}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{33864, 28434, 25923}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{51104, 52172, 54700}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{182859, 170203, 150706}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{77665, 69077, 69285}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{67519, 65867, 67598}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{72168, 72275, 1}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{27581, 24581, 23393}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{451663, 397647, 380123}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{19015, 18829, 1}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{37130, 1, 30747}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{23392, 18690, 21659}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{99943, 138499, 119599}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{729491, 984001, 833113}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{48366, 47636, 52773}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{144425, 132775, 129282}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{140483, 115618, 112728}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{45733, 31294, 32522}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{41512, 36403, 41287}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{137627, 126433, 124247}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{31887, 21604, 34610}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{49314, 42216, 60252}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{1, 1, 10029}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{191650, 172484, 170319}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{84593, 81406, 80946}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{1, 1, 1}, {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{99852, 83205, 82673}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{53435, 43460, 44324}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1355655, 1206433, 1218940}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{22507, 20187, 19130}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{1, 15926, 1}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{87017, 71899, 72637}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{85888, 88180, 80142}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{41426, 41847, 35647}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{144493, 121878, 125467}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{174859, 162196, 152383}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{62001, 61641, 62889}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{80065, 80867, 73025}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{2107721, 1910097, 1883792}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{148040, 123522, 125900}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{49062, 45297, 45616}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{662895, 571181, 557188}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{88880, 87846, 94494}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{14162, 25286, 1}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{256207, 223073, 230197}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{40189, 49534, 40885}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{1, 1, 31778}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{62486, 61108, 58974}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{109543, 88720, 98416}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1568526, 1428731, 1468638}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{148561, 142022, 145306}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{33524, 33748, 33870}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{67224, 62524, 59166}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{36842, 33755, 1}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{50428, 45519, 41851}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{118749, 152383, 139273}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{70235, 61034, 57434}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{17619, 1, 14378}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{30490, 27871, 31324}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{406307, 373859, 362301}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{63812, 1, 61458}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{30508, 24181, 81287}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{168205, 148870, 152637}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{25601, 20604, 18902}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{72565, 69082, 62694}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{29468, 17142, 1}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{141990, 166333, 202787}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{23658, 27054, 1}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{327694, 297506, 283916}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{22700, 21880, 21353}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{155670, 148462, 138561}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{356657, 350220, 361157}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{36970, 32412, 30701}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{24523, 22423, 23285}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{92312, 117548, 98497}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{252077, 234274, 230421}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{28629, 28591, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{109726, 1, 92140}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{15268, 20157, 17550}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{30155, 32257, 75948}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{99682, 80978, 76120}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{1, 12359, 1}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{276719, 256512, 248917}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.12*^7, 1, 1.98*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{284105, 274588, 266486}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{563138, 523621, 574956}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{60819, 62898, 62781}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{113044, 100168, 100825}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{27778, 19253, 21030}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{30227, 31054, 31635}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{15402, 1, 19474}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{18837, 15636, 19628}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{86404, 84155, 92350}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{35352, 36576, 33025}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{30718, 1, 14597}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{33090, 40343, 47477}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{48271, 43808, 47106}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{21026, 21979, 24067}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{257403, 241316, 234679}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{32563, 52904, 54671}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{20859, 17442, 15378}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{33476, 17061, 1}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{52422, 48838, 45068}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{54966, 53253, 53248}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{39620, 36665, 36809}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{740690, 678563, 688842}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{29652, 26553, 31523}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{77483, 77314, 78112}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> 
    {{1, 1, 1}, {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{246223, 268788, 254470}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{28749, 28314, 29726}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{41483, 39004, 39087}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{35777, 92287, 34045}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{1, 1, 13413}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{19853, 18170, 16623}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{51854, 40708, 48141}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{13567, 51166, 59758}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1153963, 1064894, 1037281}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{140805, 127345, 128936}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{27168, 25161, 22386}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{122575, 94652, 94791}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{177374, 152113, 154106}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{40571, 41744, 41590}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{57297, 70532, 70889}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{30459, 27091, 29543}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{100763, 94907, 107183}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{27822, 27720, 28659}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2414994, 2192069, 2225495}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{25248, 21843, 21781}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{19782, 12147, 1}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{21522, 18564, 17227}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{188894, 155119, 177204}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{233591, 223305, 221914}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{1076058, 1015245, 1017138}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{30787, 32298, 34555}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{93577, 99244, 86797}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{72661, 74814, 66362}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{86096, 80103, 81435}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{129964, 110201, 114128}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{180722, 161041, 153220}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{46417, 1, 1}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{137750, 65472, 76421}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{41847, 34362, 30837}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{20500, 1, 14457}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{501114, 451420, 448656}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{95128, 81883, 90106}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{45823, 41126, 34690}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{30942, 29600, 25568}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{55117, 51029, 52091}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{54077, 26691, 26497}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{19035, 12928, 27495}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{81893, 61943, 71393}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{83026, 69521, 74677}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{31699, 22988, 27252}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{14510, 16471, 53651}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{29719, 25142, 24852}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{77724, 70187, 70554}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{289496, 251932, 273539}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{580799, 545749, 545181}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{38354, 31476, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{1, 48776, 48616}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{25421, 23043, 1}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{72160, 49662, 50497}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{263959, 225962, 215179}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{15949, 1, 16347}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{13125, 1, 1}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{353552, 309647, 322572}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{1, 21182, 23453}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{95636, 71328, 70521}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{94438, 98560, 96664}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{122750, 100702, 104390}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{76412, 64800, 63584}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{8356873, 7377250, 7383210}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{269154, 226892, 244403}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{22407, 20075, 17544}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{46092, 34002, 41194}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{32907, 27057, 27744}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{71243, 50192, 47783}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{1, 51812, 53376}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{3998365, 3479254, 3452228}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{29188, 26336, 32975}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{56250, 48129, 49529}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{61492, 43853, 47912}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{57079, 42864, 48034}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{29378, 27963, 23235}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{32204, 35113, 33906}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{165226, 171388, 174883}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{1, 30868, 29136}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{119483, 1, 20176}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{48280, 57180, 47809}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{298357, 258726, 259632}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{19890, 17553, 18209}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{36855, 30507, 22513}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{230925, 191170, 192225}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{395483, 329163, 348727}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{50660, 32423, 33700}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{17731, 16142, 18198}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{87611, 85976, 73974}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, \
db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{56377, 51666, 38259}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{32075, 49215, 35910}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{36739, 29818, 32153}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{354352, 398342, 311828}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{24148, 25343, 18959}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{32629, 1, 43915}, {"8E-Heptadecenedioic acid [ C17 H30 O4, db=63.35, \
overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{27402, 24282, 42357}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{129685, 149374, 123510}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{95088, 1, 72203}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{80424, 77704, 76366}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{5620763, 4640527, 4435456}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{45735, 39808, 42314}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{75864, 61746, 55629}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{48921, 34792, 41528}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{225243, 222978, 223120}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{27606, 21287, 24254}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{43352, 1, 30825}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{48155, 1, 26385}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{26819, 21503, 22223}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{45963, 42680, 47708}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{71089, 57243, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{121050, 101457, 96415}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{138318, 118405, 132007}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{100311, 84876, 93144}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{78962, 66693, 68880}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{511775, 441189, 411533}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{79124, 74528, 72067}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{34000, 34166, 33548}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{111763, 90122, 79919}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{38681, 32340, 36409}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{204672, 206636, 185272}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{374452, 382953, 318448}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{90593, 1, 11955}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1076515, 46036, 138602}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{120042, 103226, 97357}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{33256, 24563, 32380}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{510291, 29243, 28716}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{80344, 83152, 69749}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{81282, 1, 1}, {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", 
      ""}}, {370.1814, 12.601705, "Meta"} -> {{282241, 1, 52226}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{24747, 25544, 87163}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{541732, 29288, 83286}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{20051, 1, 13873}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{251649, 1, 243539}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{296997, 15651, 1}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{56664, 50800, 49566}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{136464, 129560, 137161}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{17963, 19920, 20378}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{31674, 26282, 1}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{253765, 216495, 207578}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{477768, 284199, 224621}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{490106, 482900, 454180}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{175741, 150715, 168480}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{387587, 385146, 380100}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{118459, 104784, 100438}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{250548, 228840, 222795}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{64815, 57162, 54000}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{317513, 45166, 87507}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{1, 121632, 116698}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{19058, 16705, 1}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{1, 41147, 35807}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{18781, 21408, 24011}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{76439, 73284, 62102}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{619339, 585737, 565467}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{25500, 22311, 20744}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{297613, 300589, 265003}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{29375, 27731, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{26871, 1, 1}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{536983, 37303, 95225}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{176630, 14278, 56301}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{31215, 41503, 44473}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{2735746, 177283, 561908}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{476506, 424768, 418892}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{57234, 43100, 49929}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{67338, 1, 25497}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{62683, 53661, 54099}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{114720, 51167, 48407}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{198416, 186893, 193032}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{109270, 1, 26481}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{48418, 42926, 42221}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{324292, 335066, 331465}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{52464, 54046, 51618}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{288143, 152896, 178056}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{22962, 15284, 15240}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{2504528, 1859303, 1950064}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{359080, 256465, 267131}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{12878, 1, 13117}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{34502, 1, 28672}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{55960, 49439, 45929}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{68375, 1, 1}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{106725, 112366, 110025}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{151558, 1, 57030}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{61111, 49117, 63063}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{1922217, 97335, 311117}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{74045, 64356, 69812}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{1, 87267, 73575}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{137419, 151224, 125560}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{393845, 25169, 75321}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{21906, 19660, 20006}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{115654, 1, 28811}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{236837, 192619, 190576}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{1.96*^7, 1.85*^7, 1.77*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{160836, 158565, 154021}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{666332, 640981, 659694}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{50539, 78411, 73521}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{151890, 244839, 225377}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{28307, 32257, 32602}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{68081, 48439, 46037}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{22023, 48929, 44133}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{64506, 59206, 49881}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{87863, 63600, 67594}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{44872, 1, 36689}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{55765, 49274, 52504}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{26131, 1, 1}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{1, 42238, 39067}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{14291, 12990, 14207}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{15855, 20243, 14007}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{725302, 52965, 85918}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{148458, 161957, 158739}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{44406, 42246, 38559}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{63160, 53749, 46427}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{27565, 1, 1}, {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", 
      ""}}, {889.5133, 12.89332, "Meta"} -> {{96441, 1, 1}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{100033, 1, 1}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{40395, 18015, 24852}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{34523, 34037, 1}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{753260, 859603, 776185}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{18213, 1, 1}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{63517, 1, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{49528, 38029, 46873}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{74141, 32526, 81248}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{435890, 274503, 258356}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{86888, 1, 1}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{139606, 141851, 143654}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{364350, 1, 1}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{1541051, 1497729, 1412109}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{159978, 101557, 117321}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{222402, 146841, 159113}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{3071704, 146209, 170425}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{31370, 29728, 71373}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3226926, 342911, 824821}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{36579, 1, 1}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{22012, 1, 8660}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{76116, 1, 1}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{90898, 93197, 76252}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{45826, 1, 58670}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, db=60.10, \
overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{674030, 682400, 627830}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{212734, 1, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{69213, 50928, 49816}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{1, 1, 22671}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{120860, 1, 1}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1543878, 55082, 66767}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{30429, 21580, 19807}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{213273, 183957, 173968}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{472987, 1, 26814}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{426856, 36779, 67815}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{97101, 66228, 58940}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{127694, 1, 1}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{80181, 1, 1}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{18067, 158802, 362123}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{94299, 123109, 103856}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{83884, 26663, 53737}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{31744, 38929, 63784}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{307363, 1, 1}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{83184, 17265, 35515}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{22201, 64870, 58416}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{88039, 101850, 82803}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{66923, 78233, 33166}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{479064, 842937, 770294}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{384857, 1, 45129}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{18968, 37362, 38829}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{21461, 17750, 26068}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{72020, 72922, 1}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{250124, 251892, 230462}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{225105, 1, 55424}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{1, 1, 22353}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{52717, 1, 1}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{41768, 1, 1}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{80271, 88636, 93953}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{98926, 103150, 85978}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{200663, 1, 36856}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{115243, 1, 1}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{357822, 21489, 85687}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{2246046, 261950, 463141}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{68726, 47771, 40762}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{53715, 1, 1}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{125736, 1, 12996}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{2863482, 319629, 592560}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2078421, 201520, 602688}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{89938, 17932, 36794}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{54792, 39939, 53607}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1442075, 89548, 176479}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{67499, 50856, 42304}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{8683924, 2145852, 3884900}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{60388, 27972, 41475}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1049417, 1425090, 1451636}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{133871, 189506, 185617}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{35757, 1, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{96690, 1, 21505}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{178070, 200689, 239044}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{89631, 29440, 45694}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{111071, 59808, 1}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{22389, 15261, 27972}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1451276, 145408, 499369}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{127734, 130850, 130043}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3486993, 913286, 1790396}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{434816, 42369, 45785}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{46637, 70425, 92123}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{21412, 1, 39449}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{68203, 50805, 53082}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{137258, 1, 19830}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1388666, 3685627, 3148830}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{772176, 124844, 213659}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{1, 262476, 281016}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{524309, 735980, 743941}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{302966, 652131, 539642}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{377706, 21729, 42792}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{84749, 127363, 157161}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{31092, 45455, 44586}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{3796646, 750121, 1}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{306530, 1, 1}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{83098, 1, 1}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{77979, 99345, 91899}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{604188, 1, 47400}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{854289, 50479, 121931}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{276363, 1, 1}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{91820, 1, 34258}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{177437, 12733, 1}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{61594, 43906, 38731}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{307137, 255572, 248791}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{257577, 222028, 206714}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{22929, 26668, 25548}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{43080, 36482, 35408}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{60930, 144539, 135724}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{48009, 120137, 98635}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{1, 96891, 86706}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{42953, 151777, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{57629, 36708, 25518}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{126161, 104075, 94726}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{15417, 15522, 1}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{1, 176469, 230756}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{192880, 32960, 42274}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{68282, 1, 73771}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{688750, 1, 55849}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{89491, 1, 1}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{14007, 32559, 25223}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{92891, 1, 1}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{102949, 1, 1}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{22996, 1, 1}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{66792, 1, 1}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{14735, 51372, 17138}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{40106, 70118, 1}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{81193, 177063, 168066}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{35515, 1, 1}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{98647, 1, 1}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{23757, 23933, 26920}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{34195, 40101, 39172}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{60118, 1, 1}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{76968, 55428, 49771}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{41554, 1, 1}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{192136, 98487, 134604}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{74831, 25403, 35306}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{339233, 19891, 27313}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{16427, 111740, 134532}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{3985026, 334499, 396839}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{105031, 1, 1}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{490113, 42571, 61134}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1682206, 209270, 341218}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{458747, 24020, 30890}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3619668, 939448, 1289598}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{68484, 56708, 63233}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.38*^7, 5096176, 6152351}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{396750, 30229, 48253}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{25888, 16592, 1}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{253802, 375003, 390487}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{403743, 286507, 1}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{17338, 16684, 13216}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{101890, 173249, 168933}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{44519, 90428, 81516}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{224204, 126224, 235585}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{57681, 88130, 85998}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{29273, 1, 18621}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{68880, 64189, 25587}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{14275, 37632, 34745}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{125022, 1, 31723}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{84375, 65974, 59409}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{25320, 1, 1}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{491643, 1640808, 1482866}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{246325, 1, 15239}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{24916, 20952, 1}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{48812, 25235, 23154}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{455278, 25235, 66731}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{1017256, 117204, 253754}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{133792, 1, 17506}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{257259, 313415, 301024}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2624198, 519845, 941948}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{311709, 1, 49604}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{75666, 39419, 1}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{65425, 43101, 48939}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{255623, 644095, 539961}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{265498, 1, 1}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{56097, 37999, 81984}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{91892, 106706, 113594}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{75024, 1, 1}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{73764, 103077, 84731}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{392302, 574111, 567053}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{54519, 46288, 42362}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{221522, 213363, 266557}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{39309, 61527, 71994}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{45555, 364668, 331830}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{37008, 1, 1}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{35309, 48911, 64553}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{89285, 1, 1}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{130430, 19285, 1}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{34438, 31129, 34405}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{515468, 64627, 107564}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{46923, 1, 1}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{136129, 320926, 288888}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{2249015, 159044, 223341}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{10788, 11232, 1}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{208115, 1, 1}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{25886, 27701, 27329}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{78513, 77061, 74045}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{175328, 325074, 234452}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{41756, 65049, 61438}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{1, 14356, 25362}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", 
      ""}}, {492.3272, 13.347747, "Meta"} -> {{98309, 121043, 171148}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{115204, 209090, 202980}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{32058, 41314, 27671}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{67175, 1, 1}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{66271, 1, 1}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{382462, 41948, 88917}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{495243, 345892, 317359}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{52220, 26406, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{130294, 1, 1}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{266928, 1, 36055}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{244903, 1, 1}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{38138, 24722, 27216}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{3080905, 141254, 344008}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.18*^7, 2009947, 3058398}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{81155, 1, 37344}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{31553, 50728, 55696}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{89765, 21262, 49635}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{139948, 52795, 1}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{36794, 43007, 38266}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{52123, 45561, 39705}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1852949, 943082, 544322}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{107699, 1, 15416}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{227206, 110864, 83843}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{96697, 15748, 1}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{246372, 454917, 421911}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{75570, 49828, 51253}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{343008, 14282, 22755}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{67447, 186878, 150852}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{547751, 414746, 367802}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{292369, 1, 13995}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{118876, 1, 1}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{167562, 1, 29540}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{153939, 1, 1}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{156828, 1, 1}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{504093, 148886, 226402}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{39138, 35572, 34338}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{32399, 1, 1}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{86909, 56265, 59252}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{51441, 105938, 105934}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.01*^7, 8238048, 8430510}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{49336, 17679, 21096}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1495400, 1335053, 1343273}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{1, 1, 22211}, {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", 
      ""}}, {831.5597, 13.457517, "Meta"} -> {{14333, 25512, 34980}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{61097, 59382, 59249}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1358609, 995613, 1041890}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{17582, 1, 45255}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{38284, 58624, 48905}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{87654, 1, 55239}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{50693, 1, 75038}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{76439, 22911, 64176}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{32439, 1, 1}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{66047, 11130, 1}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{177541, 195058, 259450}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{79186, 121034, 121442}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{43811, 1, 1}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{32742, 1, 1}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{28582, 1, 1}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{2217019, 842653, 672687}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{64246, 62547, 42757}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{206754, 122867, 66840}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{77836, 43198, 1}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{17163, 18002, 16149}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{78658, 62587, 66878}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{61412, 19800, 1}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{68468, 1, 1}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{283474, 35451, 39380}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{55618, 56642, 51105}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{21385, 26293, 1}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{140380, 132336, 130630}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{34319, 64052, 71271}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{445796, 159382, 100485}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{41273, 48160, 20912}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{1085272, 968480, 570731}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{53578, 1, 1}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{39920, 1, 1}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{364803, 1, 1}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{26594, 95258, 68094}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{49304, 1, 1}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{91654, 1, 1}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{139913, 1, 1}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{752269, 49732, 110273}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{51111, 1, 1}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{91271, 1, 1}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{263381, 212670, 1}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{168154, 1, 1}, {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", 
      ""}}, {569.3693, 13.525403, "Meta"} -> {{1671471, 226862, 214785}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{97430, 1, 1}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{45541, 1, 1}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{46526, 1, 19006}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{30738, 15318, 1}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{157128, 1, 1}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{2716058, 67192, 133180}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{364562, 1, 1}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{145359, 1, 1}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{39410, 45983, 1}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{165637, 1, 1}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{604487, 1, 1}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{1, 25646, 1}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{34138, 68774, 40998}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{32806, 120408, 25111}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{241967, 1, 1}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{64100, 1, 24875}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{69427, 9714, 1}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{166500, 1, 1}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{97632, 1, 1}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{46001, 1, 1}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{33636, 1, 1}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{738910, 13242, 29397}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{64172, 40627, 37649}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{82580, 10563, 11644}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{8931148, 6718881, 5787681}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{45912, 30562, 28085}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{26587, 34015, 36384}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{939044, 831423, 756680}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1323043, 693685, 343301}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{37691, 42244, 40939}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{79632, 1, 1}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{18788, 20122, 19598}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{45297, 35395, 34908}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{75848, 46843, 48031}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{9257707, 7645852, 7203045}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{3786547, 392781, 394160}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{1, 41457, 42237}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1090744, 1049614, 947070}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{87679, 74395, 56676}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{73949, 1, 1}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{46915, 17843, 15408}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{1, 45540, 40390}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{114789, 1, 1}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1547809, 787370, 536159}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{91679, 74138, 71140}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{120117, 1, 1}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{76997, 221102, 200225}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{26187, 22667, 23170}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{1, 35213, 52236}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{642606, 54884, 1}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{35215, 1, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{57391, 34219, 34440}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{837360, 61664, 81548}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{15717, 1, 63174}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{466403, 12736, 21614}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{68725, 1, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{22462, 32796, 26313}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{43337, 1, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{52161, 1, 1}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{42581, 63918, 56988}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{31182, 1, 1}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{1345337, 655024, 128521}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{262559, 1, 24554}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{100296, 1, 1}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{170532, 1, 1}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{25571, 36886, 49559}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{98244, 1, 1}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{38760, 35885, 58635}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{1319293, 49353, 79414}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{44891, 1, 1}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{40956, 29283, 8497}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{13290, 20273, 1}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{89989, 54313, 51173}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{196335, 121816, 80460}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{27473, 17315, 1}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{13816, 1, 1}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{174309, 1, 19461}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{62330, 1, 1}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{66964, 71248, 73611}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.66*^7, 1.29*^7, 1.21*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{50991, 52745, 42266}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{81926, 80464, 36100}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{88858, 77199, 72815}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{97502, 72061, 72198}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{43981, 1, 1}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{246725, 295984, 363228}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{26752, 26123, 24340}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{38341, 52331, 54649}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1488002, 1561813, 1282214}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{180798, 171949, 124084}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{29213, 57113, 40718}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{114045, 171341, 165510}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1844699, 1585306, 1167200}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{94624, 112309, 98252}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{199181, 77254, 83667}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{43519, 1, 16641}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{63343, 83230, 91393}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{80042, 38959, 26749}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{233284, 27326, 28484}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{59248, 1, 1}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{29039, 1, 22807}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{30524, 1, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{34827, 1, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", 
      ""}}, {242.2248, 13.660813, "Meta"} -> {{703153, 476740, 1}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{21725, 22871, 22364}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{121122, 53757, 1}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{142556, 77501, 1}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{61268, 37683, 29600}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{88700, 100180, 88229}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{23722, 1, 1}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{315081, 1, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1885700, 23309, 280100}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{1, 46718, 34532}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{37149, 59458, 55899}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{80219, 38032, 30063}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{47008, 50984, 58244}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{54567, 54539, 1}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1255253, 53468, 110006}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{37623, 37654, 36336}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{27722, 79093, 76897}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{632502, 17102, 1}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{70562, 77288, 73984}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{77735, 1, 1}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{114885, 1, 1}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{93338, 139890, 1}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{21301, 1, 1}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{6651138, 597759, 518822}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{246156, 81281, 108012}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{71123, 36558, 30567}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{23752, 17896, 1}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{65754, 32061, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{196848, 27099, 1}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{43478, 1, 1}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{167113, 1, 1}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{517294, 530419, 345742}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{59217, 1, 1}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{87146, 1, 1}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{31864, 92402, 77921}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{13165, 1, 1}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{395111, 28223, 39600}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{16141, 1, 1}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{36082, 1, 1}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{385471, 1, 1}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{65027, 16461, 20062}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{40604, 1, 1}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{922761, 1, 172023}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{114372, 1, 101666}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{4304049, 16384, 52520}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1036152, 74726, 123922}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{144418, 12223, 9466}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{24226, 1, 1}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{131032, 1, 1}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{1, 16798, 19059}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{44829, 1, 1}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{80522, 71190, 1}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{38747, 1, 1}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{153016, 368220, 329461}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{250901, 72705, 51061}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{116582, 47183, 38137}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1106530, 46827, 81989}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{24301, 1, 1}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{40733, 1, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{42315, 48875, 48654}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1359268, 1112763, 1475808}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{69133, 1, 1}, {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", 
      ""}}, {694.5558, 13.729958, "Meta"} -> {{95737, 1, 1}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{116235, 1, 1}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{1, 22687, 24230}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{82488, 35914, 31255}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{18467, 1, 1}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{17992, 1, 1}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{112702, 1, 1}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{644406, 1, 89177}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{180221, 197688, 198796}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{37884, 1, 1}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{29219, 25085, 21675}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1654349, 87190, 70811}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5477744, 309782, 819600}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{135935, 157297, 140214}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{105292, 31830, 36798}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{969521, 1743495, 1649711}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{101728, 1, 124362}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{336073, 582615, 555610}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{137638, 199872, 176833}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{125270, 92421, 83970}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{49796, 61725, 78400}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{33341, 24275, 19162}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{55325, 35360, 34761}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{96386, 24628, 24769}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{762440, 674771, 558315}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.96*^7, 2.57*^7, 2.48*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{342104, 138573, 106163}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{45398, 46633, 31037}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{978262, 761955, 613775}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{1.06*^7, 8255441, 7349530}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{47819, 312273, 206654}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{139879, 61548, 47491}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{11887, 36522, 31399}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{376467, 389005, 346789}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{92842, 232315, 210959}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{415760, 313110, 251104}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{119796, 290216, 258223}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{25323, 1, 1}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{72483, 1, 1}, {"1-(8Z,11Z,14Z-eicosatrieno\
yl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H74 O5, db=90.28, \
overall=90.44, mfg=90.61, KEGG ID=, CAS ID= ]", ""}}, 
   {364.2172, 13.803227, "Meta"} -> {{65354, 151152, 127153}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{19871, 1, 1}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{86370, 231876, 224429}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{65937, 1, 1}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{262666, 1, 14553}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{107772, 184149, 165882}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{631198, 130674, 112248}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{1815327, 889615, 801080}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{2034842, 1, 8680}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{190643, 135700, 137565}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{92403, 1, 1}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{1, 231484, 230031}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{18095, 1, 1}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{35169, 43949, 42337}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{2446969, 132351, 177801}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{67371, 1, 1}, {"Ubiquinone 8 [ C49 H74 \
O4, db=69.60, overall=69.56, mfg=69.52, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{159561, 399475, 398368}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{160462, 1, 22350}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, overall=54.22, \
mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1609508, 78878, 111357}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{72428, 1, 21092}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{490115, 107907, 1}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{65321, 1, 38722}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{1, 163355, 179194}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{83619, 233001, 166284}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{38195, 52654, 48255}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{52893, 51388, 53306}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{192094, 15108, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1518874, 1459835, 1406534}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{117648, 125367, 124461}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{190245, 1, 55603}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{514494, 31163, 31283}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{3078815, 1046486, 693520}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{183453, 203819, 198784}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{1, 13843, 14080}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{71886, 17027, 16482}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{145014, 75277, 64550}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{60550, 72984, 70135}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{167483, 150960, 130047}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{58195, 180022, 141248}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{41359, 13884, 1}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{1797386, 1303693, 1199319}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{931918, 424568, 346960}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{32750, 31768, 25278}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{34817, 1, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{24064, 1, 1}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2074300, 2251562, 2163974}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{356526, 11618, 22139}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{40624, 25512, 20581}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{24056, 16583, 1}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{21806, 21283, 16220}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{185811, 127380, 100469}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{58460, 34784, 26730}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{38648, 27521, 25457}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{46225, 44408, 29724}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{32744, 31238, 29513}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{204566, 176410, 174275}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{256506, 289704, 131444}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{116868, 12185, 18144}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 36123, 28434}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{87725, 66092, 55963}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{19449, 12292, 1}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{24945, 15674, 1}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{314342, 357278, 310413}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{40322, 1, 86262}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{41465, 1, 1}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{350586, 266661, 263651}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{160529, 95505, 78562}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{67378, 1, 1}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{41095, 1, 1}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 1, 33867}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{90333, 43353, 49837}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{250521, 23215, 1}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{41244, 43550, 40779}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1976134, 490410, 1}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{63804, 67702, 64220}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{296346, 44791, 35112}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{58474, 70838, 50551}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{130226, 155577, 175734}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{28217, 1, 1}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{524306, 461797, 463895}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{134653, 14526, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{35222, 1, 1}, {"14R-hydroxy-11Z-eicosenoic \
acid [ C20 H38 O3, db=66.21, overall=66.50, mfg=66.78, Lipid ID=, KEGG ID= ]"\
, ""}}, {547.3251, 13.905644, "Meta"} -> {{43762, 22759, 1}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{21314, 25558, 28049}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{197151, 196916, 209649}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{75403, 45429, 42171}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{338445, 231981, 355289}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{201823, 1, 1}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{600933, 98474, 108103}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{96036, 96085, 126280}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{174666, 47822, 1}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{176341, 178871, 173011}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{579587, 1, 1}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{91518, 1, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{592239, 24220, 34606}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{3649676, 2658461, 2266398}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{409734, 457886, 455485}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{142173, 1, 1}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{125119, 80162, 111087}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{668067, 71229, 63179}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{27348, 1, 1}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{399076, 91256, 71053}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{47845, 1, 1}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{41751, 34115, 29245}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{170639, 65218, 55258}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{54272, 43113, 35002}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{28389, 1, 1}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{68806, 59987, 59275}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{475202, 420026, 379759}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{5.34*^7, 1, 3.09*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{57071, 17467, 19422}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{84982, 66668, 60994}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{59945, 1, 1}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{14435, 1, 1}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{88921, 52083, 34926}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{47642, 34186, 26416}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{189530, 129530, 134278}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{35137, 20149, 18287}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{26711, 12719, 1}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{29615, 1, 1}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{71808, 95496, 97371}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{113925, 106188, 98998}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{243563, 271798, 274967}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{64440, 53207, 53285}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3444224, 2879445, 2771735}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{31093, 41314, 20978}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{87403, 79969, 77842}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{40468, 27365, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{39804, 27139, 49897}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{52920, 38345, 43365}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{15643, 12716, 10226}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{1, 1, 43415}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{48817, 47336, 53449}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{152333, 84064, 67627}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{118563, 74609, 47860}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{227168, 51623, 27427}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{94811, 1, 1}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{69450, 26697, 7692}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{99850, 52996, 53133}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{1, 35131, 36132}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{6757199, 5037549, 4073643}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{14784, 10767, 1}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{1, 1768177, 1705559}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{135298, 52246, 34519}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{1, 476649, 406812}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{102374, 58594, 60970}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{331762, 422424, 1}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{1, 69978, 68781}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{73461, 73380, 56371}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{1, 52673, 54224}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{2057031, 1130435, 883599}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{120016, 122590, 164395}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{177291, 37355, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{62442, 1, 1}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{1, 30163, 1}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{510726, 575409, 492024}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{29486, 62666, 27587}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{93145, 1, 1}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{78244, 153544, 156845}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{76545, 1, 1}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{227562, 1, 9467}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{77908, 48258, 36485}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{42412, 40782, 43534}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{522215, 26367, 34082}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{33812, 26461, 32300}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1177526, 1032667, 1075385}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{36438, 25543, 19363}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{82412, 1, 1}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{42898, 25965, 20162}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{260272, 149385, 97793}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{315761, 387719, 396494}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{166651, 182173, 155156}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{81841, 1, 1}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{463739, 1, 1}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{385689, 10924, 18097}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{410276, 1, 445768}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{66881, 60873, 23534}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{3045336, 127924, 1}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{96656, 22457, 1}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{42545, 39763, 31853}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{637749, 562412, 528775}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1524777, 1373239, 1}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{378289, 35413, 27246}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{135641, 182235, 155751}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{129282, 80868, 57561}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1110195, 871913, 778680}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{709263, 390028, 340389}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{32848, 22480, 17293}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{39450, 17164, 1}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{53776, 89226, 87050}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{35066, 38724, 36444}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{66259, 84622, 80706}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{163016, 151662, 147806}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{56578, 120862, 113493}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{8.73*^7, 6.29*^7, 5.78*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{77510, 60366, 44705}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{30130, 1, 17460}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{1, 24947, 23584}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{103172, 76065, 1}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{56088, 76392, 75085}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{19483, 15142, 11836}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{34994, 35865, 34246}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{90012, 107032, 116940}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{36797, 51663, 40361}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{23756, 30097, 23855}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{115059, 117787, 103811}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{62338, 68075, 57872}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{637260, 85999, 44337}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{171065, 342528, 283574}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{1, 56486, 48039}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{25535, 33408, 26133}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{13544, 23359, 18069}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{79049, 1, 1}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{72550, 148474, 140950}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{204401, 190444, 187586}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2796315, 3087228, 2868593}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{757744, 769982, 753570}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{1, 108418, 85756}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{66779, 1, 1}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{24404, 1, 1}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{388322, 413838, 399287}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{1, 55214, 46749}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{24688, 36671, 28738}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{268265, 71706, 1}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{21081, 28089, 29328}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{15093, 1, 1}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{275130, 1, 874205}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{20266, 42725, 24536}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{33011, 21031, 1}, {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", 
      ""}}, {552.5117, 14.12462, "Meta"} -> {{55594, 70093, 61498}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{318264, 371537, 358353}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{40947, 1, 47293}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{58027, 78576, 86136}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{151653, 113232, 99042}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{354585, 77685, 91684}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{8551471, 1025563, 1601693}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{79002, 80105, 63279}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{197555, 1, 1}, {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", 
      ""}}, {328.2979, 14.143391, "Meta"} -> {{316729, 77654, 62355}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1156852, 1, 1}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{1.15*^7, 139746, 311675}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{1, 53022, 79745}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{758837, 1, 1}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{99916, 1, 1}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{3132983, 319244, 445031}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{28241, 1, 1}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{171577, 1, 1}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{554116, 1, 1}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{8198069, 1167657, 1683829}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{34198, 1, 1}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{124299, 100537, 128306}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{311090, 88869, 95106}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{732886, 750812, 656155}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{146363, 10354, 27972}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{102403, 11272, 11685}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{23861, 15165, 1}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{75633, 73835, 65089}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2501795, 1581892, 1276087}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{1, 32820, 44166}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{30942, 17229, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{163497, 30696, 44369}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{214303, 250567, 241172}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{80944, 1, 1}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{28681, 1, 1}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{157823, 167752, 148429}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{1, 1, 19568}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{33189, 38886, 35904}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1234867, 68694, 97838}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{660772, 1, 1}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{160434, 276389, 276350}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{114067, 266731, 238090}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{60420, 1, 105598}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4602955, 4852541, 4673857}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{169082, 59077, 70734}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{31470, 14749, 1}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3723195, 1319766, 1178738}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{795516, 442331, 381092}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{116359, 86990, 98982}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{22736, 25856, 1}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{61970, 102379, 103829}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{387293, 198847, 169003}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{540847, 916273, 800819}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{30455, 1, 1}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{207869, 118770, 92765}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{53299, 24998, 36735}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{178283, 106931, 83304}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{31128, 29523, 38338}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{47475, 1, 1}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=82.32, \
overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{346157, 172246, 261995}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{516533, 371015, 309810}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{76246, 60437, 53437}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{290107, 80033, 62244}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{74763, 70124, 113577}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{69500, 28368, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{74757, 85042, 67166}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{1, 97109, 95555}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{133146, 1, 1}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{34055, 1, 1}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{121814, 238920, 214050}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{2903922, 1061599, 883116}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{136144, 68849, 61978}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{1, 1, 1}, {"Allopregnanolone [ C21 H34 \
O2, db=71.59, overall=71.91, mfg=72.22, Lipid ID=LMST02030130, KEGG ID= ]", 
      ""}}, {414.297, 14.233303, "Meta"} -> {{439822, 171574, 136950}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{1, 66769, 1}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{1, 458664, 480095}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{1, 231889, 242457}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic \
acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= ]"\
, ""}}, {350.282, 14.253435, "Meta"} -> {{23694, 13973, 1}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{1, 123304, 1}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{6787205, 5561335, 5321019}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{199446, 167726, 185519}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{47785, 64140, 60763}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{59362, 25580, 1}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{92637, 207008, 192722}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{630466, 433927, 414974}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{114951, 63697, 1}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{120944, 59052, 33330}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{1, 36756, 1}, {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", 
      ""}}, {296.2717, 14.287835, "Meta"} -> {{33652, 383820, 348406}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{87686, 74912, 64377}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{289917, 88774, 80048}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{43942, 16985, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{19835, 1, 1}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{169715, 1, 76971}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{545671, 276700, 342347}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{80865, 41973, 30666}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{51620, 33784, 48785}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{5540020, 4133628, 3991217}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{252613, 127125, 129896}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{98816, 1, 87785}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{3344007, 2244797, 1867195}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{66017, 1, 21002}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{364193, 389096, 402698}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{40248, 32768, 39346}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{54984, 20463, 17594}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{56006, 27641, 1}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 \
O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{440479, 1, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{46235, 47012, 44796}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{452956, 657508, 614780}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{509911, 382981, 489562}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{6848461, 4593662, 4284589}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{36853, 1, 1}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{197853, 30630, 21034}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{603832, 631109, 546847}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{46011, 42977, 42881}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{232589, 131326, 79948}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{64871, 15249, 1}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho\
lest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{351223, 1, 1}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{127821, 1, 1}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{119052, 50338, 1}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{1, 3619842, 3447558}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{32283, 1, 1}, {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", 
      ""}}, {352.1709, 14.331971, "Meta"} -> {{145662, 71942, 60458}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{427697, 148724, 118805}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1130392, 1, 1}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{42056, 44961, 38896}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{122027, 67022, 52264}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{221757, 552815, 870700}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{81116, 68258, 54579}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{1, 15466, 1}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{213890, 204858, 187785}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{17437, 1, 1}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{123103, 24786, 1}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{25092, 1, 1}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{128505, 13323, 1}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{29436, 1, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{724655, 139959, 108803}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{30856, 1, 1}, {"Ubiquinone 8 [ C49 H74 \
O4, db=61.47, overall=63.06, mfg=64.65, KEGG ID=, CAS ID=2394-68-5 ]", 
      "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{73743, 15784, 12638}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{502256, 57418, 48346}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{64370, 23723, 20497}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{3.98*^7, 1.75*^7, 1.48*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{87441, 1, 1}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{77013, 26203, 20436}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{143665, 45368, 39403}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{45218, 1, 1}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{129486, 77151, 66870}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{47122, 27547, 23883}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{1980814, 1810310, 1678307}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{1, 23917, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{112591, 39528, 34093}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{94532, 184419, 176648}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{549663, 223961, 270523}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1456422, 1244790, 1116032}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{108798, 124386, 102641}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1934104, 1735756, 1625107}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{304657, 75192, 81071}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{109973, 65107, 64058}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1703266, 974983, 897857}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{421929, 129884, 88964}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{630009, 349292, 515779}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{899856, 224790, 169307}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{29160, 1, 1}, {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", 
      ""}}, {448.2782, 14.412751, "Meta"} -> {{54633, 56386, 54398}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{1972677, 131714, 160671}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{54320, 1, 1}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{389040, 1, 1}, {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", 
      ""}}, {540.3808, 14.450665, "Meta"} -> {{173197, 24599, 1}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{29055, 1, 1}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{514632, 1, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2194373, 825909, 767861}, {"3alpha,12alpha,25-trihydroxy-5beta-cholesta\
n-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG ID= \
]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1021059, 552684, 203223}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{53585, 31189, 40284}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{4444223, 685167, 615158}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{1, 51058, 1}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{80796, 10314, 1}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{27532, 1, 1}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{43908, 1, 1}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{177012, 90010, 75579}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{61461, 26647, 28352}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2005906, 723988, 692346}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{42738, 1, 1}, {"3beta,7beta-Dihydroxy-12\
-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, db=40.73, overall=40.55, \
mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, {617.2878, 14.457032, "Meta"} -> 
    {{23264, 38349, 19159}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{207920, 81547, 70790}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{1, 40991, 96552}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{337860, 206330, 182499}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{218745, 163638, 151707}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{1, 1871508, 473478}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{53663, 26527, 1}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{1, 257767, 226721}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{56037, 1, 1}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1, 792723, 773741}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{405719, 65867, 45151}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{36861, 39424, 28175}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{152774, 61629, 39451}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{66014, 1, 1}, {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", 
      ""}}, {422.3164, 14.500791, "Meta"} -> {{169117, 1, 1}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{319588, 12629, 19444}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1456955, 1645397, 1355548}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{685840, 764437, 425149}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{464768, 204053, 353860}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{1, 59260, 33358}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{69850, 69392, 63451}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{98179, 73829, 66512}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{62339, 77699, 12743}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{961414, 1264390, 1233317}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{25899, 1, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{339105, 114922, 106912}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{91132, 47333, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{853390, 791323, 650886}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{534799, 303634, 387603}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{170625, 123474, 55866}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{297169, 566555, 498894}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{231020, 25339, 23109}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{45257, 1, 1}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{191321, 22537, 18408}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{206965, 1, 1}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{44257, 25331, 22793}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1871649, 1687211, 1534645}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{246590, 266341, 230719}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{155599, 1, 1}, {"1-(11E-octadecenoyl)-rac\
-glycerol [ C21 H40 O4, db=93.99, overall=94.85, mfg=95.72, KEGG ID=, CAS ID= \
]", ""}}, {616.4681, 14.60106, "Meta"} -> {{1068286, 811436, 1183906}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{89106, 20766, 15859}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{97288, 30391, 18842}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{578850, 235294, 171302}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{1, 1, 1}, {"17-oxo-20Z-hexacosenoic acid \
[ C26 H48 O3, db=62.40, overall=62.48, mfg=62.57, Lipid ID=, KEGG ID= ]", 
      ""}}, {310.1815, 14.585141, "Meta"} -> {{129933, 98799, 94789}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{118201, 150984, 145520}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{212164, 81359, 35458}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{168288, 176674, 154022}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{42924, 55602, 34718}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{37177, 47627, 36376}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{36632, 25724, 1}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{55299, 24369, 19607}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{1.65*^7, 2.52*^7, 2.28*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{126196, 1, 73663}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{18710, 23796, 1}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{83186, 85949, 67069}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{1, 49544, 60067}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{26847, 12278, 1}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{220900, 1, 1}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{55161, 1, 1}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{43708, 1, 1}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{109567, 73624, 64764}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{105710, 114531, 104427}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{80597, 131013, 120621}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{86737, 56357, 44611}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1115487, 1318096, 1046654}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 150256, 340061}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{150871, 1, 1}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{1, 420662, 390177}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{92839, 1, 1}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{499931, 60475, 45933}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1540742, 1230438, 973562}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{45759, 48738, 36252}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{1, 1, 1}, {"3-Dehydro-6-deoxoteasterone [ \
C28 H48 O3, db=77.14, overall=77.29, mfg=77.43, Lipid ID=LMST01030125, KEGG \
ID= ]", ""}}, {420.3606, 14.665766, "Meta"} -> {{45955, 23557, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{351747, 59108, 37939}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{228097, 1, 1}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{161763, 129321, 167354}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{493418, 371834, 297865}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{51763, 1, 1}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{52713, 1, 1}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{29679, 1, 1}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{28013, 1, 1}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{564745, 64076, 42542}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{45520, 1, 1}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{77931, 1, 40576}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{128801, 18055, 16888}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{90710, 21484, 1}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{146755, 28773, 20911}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{75365, 1, 1}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{110780, 33179, 36757}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{50342, 1, 1}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{2.27*^7, 1.13*^7, 9722047}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{168996, 59570, 25982}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{49803, 1, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{70633, 30391, 26242}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{50910, 28025, 19233}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{376732, 311714, 269043}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{334904, 202476, 241637}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{43545, 23261, 1}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{160184, 87389, 77359}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1, 732980, 617804}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{76791, 38141, 21714}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{555262, 813516, 602697}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{511472, 447903, 372984}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{68036, 152996, 130785}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{168073, 26586, 22134}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{75019, 58455, 42786}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1173191, 196115, 173994}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{224727, 31296, 24038}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{124485, 1, 1}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{49410, 79728, 57672}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{177523, 159889, 126482}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{99317, 1, 1}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{397524, 158461, 118491}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{47535, 69575, 64220}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{55763, 1, 1}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{2209020, 1994222, 1595870}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1088799, 479786, 510978}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{34793, 1, 1}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{209116, 20215, 18289}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{243110, 45595, 33096}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{66444, 1, 1}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{483444, 97317, 85919}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{139270, 20704, 13310}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{71599, 1, 1}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{220559, 113415, 61121}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{79032, 1, 1}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{102636, 14339, 1}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{142448, 30921, 26624}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{147599, 62981, 55314}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{114444, 28660, 15139}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{568840, 27504, 1}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho\
lan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid ID=, \
KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{40137, 38628, 1}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{195207, 79243, 67977}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{904414, 353796, 319867}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{94921, 1, 1}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{754145, 1, 406014}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{130065, 1, 1}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{918878, 64789, 132031}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{96337, 1, 1}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{44364, 59558, 43520}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{58337, 1, 1}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{212077, 144897, 103311}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{46831, 1, 1}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{225254, 17138, 1}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{23822, 16738, 1}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{75410, 14416, 1}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{103430, 19342, 15831}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2151791, 602638, 440101}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{47762, 11306, 1}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{523573, 1, 269361}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{74893, 18087, 1}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{58263, 1, 1}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{41007, 31498, 30831}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{79929, 1, 1}, {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", 
      ""}}, {364.3347, 14.869875, "Meta"} -> {{208601, 29593, 18003}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{77346, 1, 1}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{252441, 43177, 31960}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{668209, 1582261, 1594199}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{156150, 1, 1}, {"5,9,19-hexacosatrienoic \
acid [ C26 H46 O2, db=93.07, overall=94.01, mfg=94.96, Lipid ID=, KEGG ID= ]"\
, ""}}, {506.4338, 14.890211, "Meta"} -> {{308125, 184522, 148065}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{292318, 26515, 1}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2802146, 856268, 630691}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{40303, 1, 1}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{29624, 1, 1}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{67738, 61190, 62844}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{240609, 203082, 157092}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{203463, 23682, 1}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2766574, 1626912, 1311641}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{148072, 160883, 135399}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{84891, 1, 1}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{19946, 1, 1}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, db=87.49, \
overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{1, 121452, 79493}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{84722, 7374, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{114111, 13525, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{95319, 1, 1}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{163560, 21838, 1}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{864814, 97802, 69977}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{1, 51650, 51309}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{37138, 1, 1}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{67288, 1, 1}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{962041, 248759, 179412}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{196468, 20580, 14058}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{112068, 59726, 45083}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{204717, 91160, 72954}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{32683, 1, 1}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{67013, 1, 1}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{1, 196888, 70714}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{84578, 9028, 1}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{370017, 1, 1}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{34904, 1, 1}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{1, 99762, 81154}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{19601, 22158, 17836}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{87797, 1, 1}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{1331792, 382298, 1}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{29984, 285968, 279560}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{2551996, 6949989, 7157269}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{79421, 741465, 776401}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{96003, 1, 1}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{183311, 48819, 31517}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{59415, 51306, 36923}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{47468, 541541, 577405}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{38478, 1, 1}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{293009, 43661, 34058}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{36062, 1, 60681}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1229852, 125721, 231775}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{117407, 1, 1}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2086087, 640958, 501418}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{44399, 1, 1}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{4673365, 1, 1114785}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{71758, 19745, 14627}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{298439, 51811, 23940}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{135299, 19541, 1}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{961721, 142949, 94183}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{62910, 1, 1}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{5458615, 1150007, 784748}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{140272, 45937, 29975}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{37494, 1, 1}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{156840, 1, 30443}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{76344, 1, 1}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{511076, 120261, 75330}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{363824, 1, 21385}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{141601, 34883, 26335}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{39247, 33132, 23333}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{67277, 1, 1}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{4029946, 2066591, 1582138}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{1, 54949, 1}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{52741, 45938, 41284}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{93521, 1, 1}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{1, 24893, 16629}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{31984, 81200, 78572}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{46731, 34467, 1}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{79488, 1, 103300}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{895352, 224638, 166666}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{52877, 9515, 1}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{49854, 1, 1}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{74869, 1, 1}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{157907, 92569, 54549}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{109107, 28507, 31800}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{42570, 1, 1}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{73035, 171245, 148624}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{212626, 13426, 16263}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{36115, 15768, 11838}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{254372, 1, 1}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1543652, 641521, 461655}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{551003, 9168, 1}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{42904, 102957, 60948}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{49400, 51927, 50686}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2448086, 534663, 1}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{74045, 1, 1}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{4125508, 85566, 53423}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1851137, 1112296, 687478}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{222261, 1, 1}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{99300, 32900, 32989}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{29455, 1, 26049}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{289170, 1, 1}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{2.12*^7, 483612, 466742}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{49147, 1, 1}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{35374, 1, 1}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{112514, 1, 1}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{29580, 160147, 131355}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{147274, 1, 1}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{80321, 1, 1}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{469859, 14041, 1}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{54608, 60131, 44063}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{58264, 86221, 59378}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{33233, 1, 1}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{455993, 1, 1}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{174908, 1, 22917}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{39259, 40020, 41934}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{201002, 1, 28348}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{185283, 85103, 59114}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{87329, 1, 1}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.31*^7, 359444, 276795}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{241748, 27276, 21409}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{6426394, 1, 1}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, db=98.44, \
overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{94042, 1, 1}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{343119, 1, 18735}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{35715, 1, 1}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{113789, 1, 1}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{1, 27934, 31165}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{27523, 1, 1}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{63544, 1, 1}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{2363010, 271852, 204604}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{3860244, 1, 1}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{33876, 1, 1}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{259365, 1, 1}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{89401, 44953, 28574}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1705483, 99094, 1}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{18488, 46249, 39937}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{8571987, 435081, 285983}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{1371482, 489927, 515261}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{79888, 1, 1}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{145056, 1, 1}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{283084, 126791, 128976}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{27870, 1, 1}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{32153, 108880, 124209}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{50330, 1, 17368}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{242789, 46611, 32032}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{39781, 20902, 18172}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{40263, 1, 1}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{670853, 541008, 558132}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{1, 197318, 137090}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1541808, 1370223, 1391186}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{4682563, 380249, 286941}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{44550, 49984, 42845}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{414647, 49018, 34712}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{116562, 32218, 39241}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{928763, 101480, 76183}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{207540, 59025, 60592}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2456857, 2157252, 2126249}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{39144, 1, 1}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{4795260, 491658, 354657}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{938087, 119431, 90241}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{240406, 24151, 21648}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{192856, 15668, 1}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{68976, 164911, 165646}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{128929, 46525, 30250}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{27251, 1, 1}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{429999, 42086, 24203}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1063366, 1, 1}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{49154, 1, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{49308, 1, 1}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{527652, 382163, 412880}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{2883847, 213754, 202171}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{85348, 1, 1}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{1277410, 99259, 92950}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{37492, 25813, 26310}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1054576, 763874, 740864}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{133503, 1, 1}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{139167, 131113, 102111}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{1, 48249, 69128}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{36471, 1, 1}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{218650, 16612, 1}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{78323, 85245, 62174}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{53231, 1, 1}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{80635, 52596, 54311}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{414085, 50341, 29853}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{2845341, 141598, 115006}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{96206, 1, 1}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1908998, 1687687, 1670663}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{222610, 21247, 24773}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{5135032, 317606, 308932}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{33142, 1, 1}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{56026, 1, 1}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{227392, 156952, 195168}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{689483, 61578, 41930}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{143281, 1, 1}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{54268, 1, 1}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{1, 106709, 82627}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1196974, 882858, 899446}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{38542, 1, 1}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{205706, 17252, 15137}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{106840, 1, 1}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2308930, 1585025, 1619773}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{311411, 1, 20148}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{81598, 1, 1}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{118965, 1, 1}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{184597, 1, 1}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{574392, 399117, 291256}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{135661, 199499, 136581}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{535279, 13706, 27661}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{142448, 1, 1}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{268276, 129669, 144102}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{85355, 39568, 49913}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{223505, 1, 1}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{140499, 1, 1}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{487704, 85987, 89651}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{93022, 39255, 13014}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1398978, 312150, 564170}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{195406, 100046, 59660}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{143150, 1, 13672}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{153746, 1, 1}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{34854, 1, 150524}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{347534, 16608, 17667}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{67025, 51642, 44372}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{61524, 1, 1}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{674784, 44189, 31075}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{69604, 1, 1}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{305457, 163839, 110724}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{141414, 82058, 62079}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{36502, 1, 1}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{96479, 10897, 1}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{459674, 236464, 175173}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{63176, 1, 1}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{1205451, 74492, 62126}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{338321, 15336, 21866}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{16286, 1, 1}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{102773, 1, 1}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{83732, 1, 1}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{542717, 29101, 40928}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{22654, 1, 1}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{22882, 1, 1}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{1373290, 502657, 476694}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{1, 56105, 67541}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{684044, 37948, 26319}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{2056170, 856070, 658952}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 38819, 1}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{67062, 1, 1}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{120115, 1, 1}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{228076, 28435, 1}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{517681, 24514, 21074}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{36647, 1, 1}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{336625, 19377, 1}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{807666, 1, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{192902, 42255, 1}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{86149, 125025, 145463}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{413066, 39483, 57088}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{316919, 44101, 43781}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{220879, 52445, 36393}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{32957, 1, 1}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{1237640, 145258, 127005}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{71701, 1, 1}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{57707, 1, 12927}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{240865, 14082, 1}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{153423, 9950, 1}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{193667, 1, 1}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{117330, 1, 1}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{377602, 69195, 41910}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{356021, 47637, 1}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{78843, 1, 1}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{78254, 1, 1}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{473316, 27625, 21603}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{31001, 1, 1}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{889365, 67052, 114950}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{466389, 56992, 1}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{58715, 1, 1}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{2772522, 3408236, 4900754}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{71654, 1, 1}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{441750, 38118, 64260}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{112225, 1, 1}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{74954, 1, 1}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{369280, 1, 1}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{154848, 1, 1}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{43098, 1, 1}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{678735, 37401, 1}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{26071, 21080, 23375}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{27603, 27267, 1}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{16880, 17720, 18384}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{20101, 1, 19709}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{1, 16890, 17007}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{1, 1, 16748}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{1, 16456, 17957}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{13672, 11204, 1}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{193866, 150941, 179396}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{237892, 197115, 217998}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{160766, 165905, 175049}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{372615, 1, 339216}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{36979, 29506, 31250}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{293062, 267790, 301710}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{83019, 99954, 52381}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{70170, 57613, 58477}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{68863, 67310, 1}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{21337, 31968, 28321}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{90620, 1, 1}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{191078, 181131, 162768}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{1, 1, 2487804}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{232124, 236714, 230281}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{62604, 105107, 50364}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{55202, 47707, 52140}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{71732, 72971, 75188}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{1, 1, 1}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{1, 18274, 16268}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{23808, 28515, 41277}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{22538, 31390, 25420}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{1, 24898, 24553}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{43135, 41782, 46170}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{1, 20178, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{71637, 58186, 55310}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{250128, 1, 235160}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{25016, 38227, 34570}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{16872, 33525, 46119}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{22088, 20295, 22365}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{14881, 12764, 1}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{17262, 18578, 15269}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{1, 22989, 20724}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{13514, 14137, 12495}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{22941, 19334, 22849}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{29510, 29792, 22922}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{25229, 28044, 22901}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{11701, 41331, 38945}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{39400, 19849, 53212}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{16749, 25628, 19295}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{31657, 44378, 53853}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{37424, 30927, 33355}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{514839, 76268, 171641}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{28816, 21825, 1}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{78597, 1, 1}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{1, 1, 22085}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{1, 48839, 47631}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{242145, 184860, 111252}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{99526, 118550, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{1, 55785, 53742}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{1, 50278, 44710}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{22956, 25003, 19603}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{1, 106444, 108167}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{45620, 45712, 48998}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{62464, 1, 53414}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{37389, 21025, 20842}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{22995, 15287, 13685}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{34448, 36873, 35553}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{1, 174374, 168428}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{73934, 111991, 119223}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{15651, 13327, 14428}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{44987, 86855, 78353}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{1127340, 164998, 571177}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{115205, 1, 94373}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{16953, 19322, 20973}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{25901, 1, 1}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{147430, 26626, 1}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{110610, 76973, 1}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{773592, 195744, 138957}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{64435, 78157, 63020}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{73154, 126790, 130891}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1, 1, 490224}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{113214, 59244, 1}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{1, 100846, 73866}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{161238, 36468, 34913}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{89668, 66226, 40266}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{49872, 35462, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{22489, 57490, 42639}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{1, 26166, 1}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 156239, 142898}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{92667, 194538, 138591}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{132074, 133790, 160051}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{24673, 112844, 97286}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{226302, 233923, 180245}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{39577, 24270, 1}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{138192, 221919, 1}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{1219468, 315096, 456680}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{55256, 1, 54029}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 86101, 94349}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{162806, 160563, 151708}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{327734, 321557, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 200388, 1}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{81748, 70769, 76189}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{29010, 27493, 27160}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{44669, 41036, 41754}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{15244, 13177, 1}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{14629, 61338, 60477}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{60665, 144403, 125719}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{39142, 32296, 1}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{18216, 48148, 1}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{228142, 349072, 330684}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{38939, 48546, 47589}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{26387, 49404, 53054}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{43141, 24015, 34257}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{64403, 1, 38070}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{1, 42078, 38036}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{86979, 47062, 46009}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{1, 52516, 85502}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{1, 98908, 79679}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{227114, 335914, 274886}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{33260, 79039, 66928}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{49069, 38542, 30585}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{20237, 22174, 21182}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{32576, 125832, 1}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{129364, 121408, 120046}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "15" -> <|{457.0024, 0.34764, "Meta"} -> {{16317, 15303, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{31090, 26267, 25910}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{17359, 14111, 12748}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{14394, 12389, 12536}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{25594, 23028, 18120}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{86724, 71472, 70044}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{50595, 44477, 41290}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{45869, 38693, 36052}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{15596, 11529, 12328}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{12352, 10577, 1}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{22444, 21060, 21164}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{14485, 13361, 13386}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{20896, 20643, 19779}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{20637, 20603, 22179}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{11541, 11165, 10068}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{18872, 17951, 20849}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{37638, 34238, 33192}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{53039, 54633, 53215}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{25805, 22591, 20898}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{74531, 72360, 72107}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{60523, 64284, 61628}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{48720, 51129, 1}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{72601, 75810, 72366}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{41842, 43025, 44239}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{471270, 540765, 524326}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{19578, 20622, 19313}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{109291, 103483, 99126}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{59386, 51916, 51084}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{145782, 139799, 143749}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{71291, 70124, 70183}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{14026, 20242, 16590}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{290755, 277945, 277235}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{20807, 21141, 1}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{198180, 191088, 200549}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{41101, 41716, 36494}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{382133, 345048, 377072}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{35249, 36707, 32807}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{762316, 738751, 745822}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{477369, 451588, 471420}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{879503, 858991, 869216}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{23264, 23922, 23402}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1340315, 1334664, 1326408}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1570623, 1543660, 1563587}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1096826, 1064205, 1080696}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1238552, 1199292, 1211672}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{18092, 21581, 19595}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{654801, 668011, 675724}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{59218, 58249, 62793}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3448302, 3388842, 3121014}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{41689, 41687, 42745}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{67206, 70353, 67239}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{51300, 51909, 49739}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{17415, 16603, 17980}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{65058, 66639, 68848}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{31824, 33750, 34065}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{70980, 70365, 67519}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{45399, 51710, 48508}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{17775, 12005, 14977}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{16856, 14244, 1}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{18268, 12212, 1}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{12961, 12309, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{189181, 186523, 179154}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{662113, 729415, 709589}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{185770, 182938, 170686}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{141518, 155687, 1}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{140527, 1, 1}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{36798, 34170, 34672}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{62371, 1, 54176}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{108731, 115462, 1}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{361942, 365091, 362569}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{94560, 87996, 87337}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{391955, 360281, 347776}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{123140, 1, 117011}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{99787, 1, 115710}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{211324, 1, 209704}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{33515, 32310, 32881}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{30930, 31856, 32721}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{102217, 90824, 91044}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{77772, 76794, 1}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{155475, 159929, 139566}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{101280, 96429, 92742}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1710028, 1654316, 1639234}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{139250, 132535, 129630}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{41815, 51839, 1}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{170854, 172078, 159575}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{8128706, 8447735, 8294394}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{78971, 85192, 86941}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{164158, 170118, 179290}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{69028, 89251, 76238}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{36046, 53341, 45130}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{91307, 30014, 77005}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{137319, 103172, 94376}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{138215, 1, 1}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{384895, 247692, 230444}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{59993, 60067, 76200}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{125160, 272249, 191794}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{69891, 69664, 66312}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{1110740, 1099021, 1275218}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{314998, 265646, 238931}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2121292, 1854767, 1499648}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{43762, 26925, 25305}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{226137, 218095, 205288}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{308212, 258632, 257277}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{644414, 612491, 543587}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{165815, 144763, 141096}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{35237, 1, 1}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{112989, 93613, 90957}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{151904, 133204, 113722}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{41912, 32419, 22325}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{479816, 429790, 408088}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{33788, 22203, 26568}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{288107, 226965, 172149}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{41205, 26325, 22138}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{9117516, 8276289, 7771571}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{70518, 81327, 53405}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{200022, 161978, 178641}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{469714, 476605, 553884}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{115527, 81365, 135040}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{60325, 50968, 38758}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{383870, 300840, 256493}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{185072, 1, 195426}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{49969, 40330, 23404}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2254781, 2019690, 1715653}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{67449, 67750, 71204}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{150571, 107971, 112390}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{499302, 505075, 530260}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{28515, 22862, 38737}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{85131, 73732, 64796}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{138380, 114194, 112056}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{117457, 133198, 127201}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{38276, 44142, 41837}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{20893, 19744, 20438}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{96067, 92631, 87853}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.44*^7, 1.2*^7, 1.18*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{23706, 24505, 26793}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{367658, 524583, 484394}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{583879, 613006, 553136}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{64609, 47139, 41561}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{130539, 97419, 90121}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{31609, 31253, 29145}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{917698, 765650, 754062}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{64503, 51135, 1}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{27700, 25626, 26827}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{30004, 25470, 21444}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{29446, 30037, 27810}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{30668, 26570, 27255}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{26870, 18798, 15606}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{128924, 90965, 78104}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{14824, 26513, 30567}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{18639, 35312, 26413}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{35638, 1, 30439}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{250922, 139776, 199284}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{21044, 22259, 1}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{69475, 128434, 69103}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{92233, 68866, 69829}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{215681, 216105, 219956}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{86193, 96922, 61390}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{110213, 124407, 123356}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{66418, 98023, 1}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{455841, 410681, 1}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{51633, 61779, 48978}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{1094776, 871641, 934507}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{31633, 25650, 39881}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{335467, 258739, 246415}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{90727, 1, 74347}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{294895, 349115, 330608}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{329405, 276443, 262858}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5630435, 4881588, 4770948}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{121799, 97351, 95777}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{97029, 81842, 79225}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{56504, 46077, 54076}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2643858, 2334155, 2345161}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{170542, 142451, 1}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{62019, 49542, 1}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{129758, 1, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.5*^7, 1.27*^7, 1}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{337770, 1, 293445}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1207052, 1010452, 1}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{5382451, 4152042, 4054282}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{247074, 187207, 165916}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{131337, 171263, 145712}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{178923, 141765, 131347}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{3482025, 2856165, 2854981}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{209157, 217983, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{183016, 132234, 1}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{134458, 87001, 59857}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{7307433, 5317151, 4513477}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{459268, 346438, 337479}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{227805, 35038, 119619}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{175164, 122911, 113881}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{412583, 317094, 313546}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{674118, 514930, 1}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{51242, 1, 1}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{8.01*^7, 6.54*^7, 6.31*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1722394, 1289504, 1397919}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1937185, 1540773, 1}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{264917, 209289, 211286}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{141222, 117857, 119840}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{104475, 81345, 81317}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{142224, 101451, 113459}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{78335, 70953, 71637}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1429581, 1194630, 1197841}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{685080, 412091, 199007}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{374749, 309599, 290657}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{90352, 64806, 71235}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{70179, 52423, 58396}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{83625, 70746, 70590}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{113231, 98245, 99116}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{35621, 33106, 34648}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{140479, 115616, 114995}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{46305, 71549, 129105}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{942255, 642177, 507238}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{198215, 134585, 104001}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{135237, 96173, 80779}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{239189, 184782, 174041}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{75375, 62635, 64469}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{33240, 32338, 32870}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{2560852, 2106659, 2107906}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{78076, 55067, 55200}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{237508, 206801, 215317}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{65312, 55821, 61905}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{40455, 34807, 35766}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{29032, 30527, 1}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{136762, 131851, 179414}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{23449, 19101, 17927}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{46627, 33565, 38184}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{146563, 1, 121418}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{99946, 89054, 82251}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{42365, 55028, 44694}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{235433, 286032, 256282}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{510775, 464853, 456987}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{100449, 95298, 92744}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{96823, 106564, 99170}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{128681, 90270, 100581}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{30997, 37152, 38318}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{176526, 199734, 179379}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{146872, 121164, 116979}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{48878, 42838, 46399}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{33091, 34468, 33152}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{1093390, 845575, 782000}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{88391, 68599, 69535}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{2158946, 1691600, 1595656}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{69882, 55264, 51308}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{470148, 343823, 405811}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{28202, 1, 1}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{264967, 955053, 189707}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{28008, 1, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{169839, 486891, 64122}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{176469, 175993, 19615}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{89938, 134438, 79141}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{64009, 151806, 48176}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.15*^7, 3.07*^7, 8752420}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{43025, 23777, 1}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{69187, 206451, 58824}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{44629, 76507, 31006}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{996157, 793739, 809912}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{39079, 30891, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{29063, 1, 24921}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{44489, 21846, 44985}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{20546, 20180, 19093}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{28255, 1, 1}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{64639, 48536, 46418}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{108273, 95155, 90570}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{35410, 27187, 26273}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{337115, 284293, 288560}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{23557, 22163, 24957}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{13373, 1, 1}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{448222, 388128, 397892}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{151017, 117743, 121429}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{127910, 120746, 114011}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{55134, 78818, 72075}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{133770, 104561, 89975}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{1555277, 1271248, 1234102}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{41526, 35701, 35575}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{33392, 1, 20598}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{79790, 84991, 79888}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{440358, 438436, 356057}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{410214, 363741, 353911}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{26889, 19412, 1}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{33146, 1, 20363}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{206762, 173893, 169538}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{45490, 17488, 28884}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{580468, 543092, 491354}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{62012, 49109, 47404}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{37106, 33889, 34471}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{207852, 165569, 173318}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{131533, 112907, 106151}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{31681, 27330, 25330}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{90684, 78292, 76194}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{126404, 94712, 142478}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{104784, 85950, 66508}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{130669, 112723, 104306}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{50753, 58711, 64748}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{2866271, 2763466, 2618284}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{59643, 65399, 69853}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{203876, 199421, 195683}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{1452983, 1347942, 1253789}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{412386, 427602, 420391}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{131749, 148489, 148031}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{44715, 33369, 31763}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{61205, 1, 44575}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{193117, 165689, 159655}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{22843, 23202, 19449}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{16043, 16455, 31631}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{267184, 197224, 373543}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{42207, 26093, 50365}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{295973, 222554, 358641}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{26686, 20615, 39862}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{61268, 50481, 52837}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{127251, 128215, 135654}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{86809, 76225, 61676}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{214763, 127721, 1}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{132228, 121585, 102852}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{145342, 120677, 113327}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{71030, 54941, 54027}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{33646, 25107, 16269}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{53767, 46394, 40225}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{54513, 37756, 1}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{245737, 217879, 205229}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{29171, 28667, 24596}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{347167, 272522, 262389}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{110227, 85704, 115114}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{68473, 51325, 52160}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{35487, 27598, 1}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{21606, 19064, 35231}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{25964, 23909, 24411}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{65148, 41768, 53837}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{41075, 32589, 29590}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{159950, 146019, 131961}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{44772, 48693, 45385}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{39029, 34903, 37863}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{558509, 435468, 433842}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{134060, 112558, 102081}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{165847, 151209, 138086}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{96513, 76997, 64184}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{68976, 56420, 52497}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{86984, 73860, 69954}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{35845, 30249, 28715}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{156537, 128760, 137568}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{40988, 59822, 56747}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{433598, 332310, 348171}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{66584, 54150, 49682}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{69660, 1, 70020}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{17494, 15318, 17581}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{400141, 332949, 333068}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{38882, 23017, 31114}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{35972, 25779, 28568}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{514304, 381170, 385493}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{58412, 60604, 45066}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{623638, 527881, 398107}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{48869, 43793, 35589}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{24392, 26082, 37918}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{70660, 64289, 57200}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{206863, 171702, 166049}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{46340, 49926, 1}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{295194, 234901, 232311}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{70699, 60850, 53261}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{16706, 20420, 29235}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{85746, 64993, 62693}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{644953, 479348, 483833}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{41097, 33789, 35419}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{31874, 25226, 22746}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{21415, 19051, 21153}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{415196, 304782, 323502}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{140900, 114749, 98764}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= \
]", ""}}, {216.1362, 9.984428, "Meta"} -> {{89278, 75203, 82179}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{41061, 46226, 64218}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{30489, 28556, 29242}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{208542, 162816, 160714}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{1.17*^7, 9777621, 9508457}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{35368, 30312, 30341}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{425643, 369272, 363571}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{75262, 69630, 61663}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{134054, 128161, 122199}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{387420, 345808, 365140}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{52101, 47811, 45727}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{55126, 48628, 53092}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{79310, 47519, 40885}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{40686, 38458, 37839}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{89044, 1, 82055}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{54778, 41861, 51115}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{52972, 42613, 38790}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{116793, 79858, 78790}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{457040, 378630, 375214}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{54511, 43609, 42134}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{206267, 164738, 155536}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{66036, 52786, 51268}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{46124, 29690, 26948}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{70363, 59694, 55068}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{427347, 351920, 351693}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{94559, 79447, 72618}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{100706, 90845, 86501}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{50780, 46416, 43122}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{319736, 276455, 262051}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{27541, 35776, 31008}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{229488, 177808, 162433}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{74861, 60606, 110690}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{1169528, 579601, 680721}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{233159, 112126, 140972}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{576641, 527708, 505567}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{76497, 65925, 65214}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{109962, 84343, 86780}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{66886, 51156, 40347}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{20343, 1, 15286}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{15864, 13362, 1}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{121241, 101720, 106166}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{52660, 50445, 38796}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{21340, 16658, 16592}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{100370, 90607, 97346}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{38140, 30293, 29465}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{43734, 35396, 34497}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{298958, 238659, 223513}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{22287, 18129, 20017}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{19698, 18967, 18137}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{369639, 318317, 325627}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{36158, 34795, 31958}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{59442, 52733, 51005}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{24702, 22251, 19826}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{121589, 95655, 100737}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{28945, 29581, 1}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{35189, 34622, 36747}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{121182, 97259, 99312}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{41673, 31610, 33412}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{32372, 29650, 28268}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1140271, 928377, 898188}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{55984, 42095, 46096}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{134922, 108222, 104415}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{142405, 220756, 157302}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{29822, 30616, 28211}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{107140, 96614, 89204}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{909069, 765967, 744581}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{788715, 638639, 675862}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{36292, 24789, 1}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{400464, 344458, 320375}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{32645, 26493, 22361}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{210808, 193099, 179588}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{215027, 181858, 166337}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{73660, 58905, 60411}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{132487, 110430, 105037}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{152006, 126705, 119939}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{514379, 237672, 266258}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{24944, 1, 13000}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{23804, 14215, 1}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{35287, 22140, 23783}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{244082, 198422, 213889}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{119599, 91842, 82801}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{239757, 207283, 209846}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{601694, 481121, 460616}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{23431, 16992, 20999}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{150758, 129053, 136953}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{83465, 70376, 75178}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{32411, 26204, 30640}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{93095, 72099, 9670}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{32172, 24406, 24000}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{154683, 142717, 137986}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{166383, 126522, 112964}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{32086, 26488, 19487}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{95721, 70818, 65332}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{25588, 18143, 24301}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{75350, 48280, 57764}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{46776, 36619, 30370}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{404861, 311600, 327484}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{22739, 18806, 1}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, \
db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{155514, 128726, 122227}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{509239, 583023, 523873}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{24821, 28306, 25578}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{22631, 17517, 17071}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{179738, 155627, 155005}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{32258, 29410, 22698}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{27148, 1, 17684}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{79484, 57630, 61088}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{72994, 55728, 56314}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{150897, 148156, 109642}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{39317, 29424, 28771}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{33734, 27974, 1}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{13370, 12536, 16289}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{41805, 32178, 37453}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1704023, 1539311, 1674326}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{17838, 15903, 14915}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{59653, 44403, 49275}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{32492, 24653, 25981}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{839418, 645706, 628222}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{90346, 71777, 75047}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{128410, 101027, 97371}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{17985, 18221, 34926}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{28911, 23311, 25401}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{254556, 216182, 239296}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{90279, 80530, 72948}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{71267, 51573, 51431}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{23724, 22372, 18698}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{31537, 24354, 25005}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{139504, 124725, 123951}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{152992, 125499, 137893}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{5540383, 4612152, 4565278}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{37383, 29951, 29429}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{30289, 31304, 33785}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{17764, 13788, 13507}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{45624, 41454, 38399}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{99288, 90354, 90506}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{234324, 178219, 181957}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{52028, 50212, 49601}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{50994, 49519, 51021}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{41488, 25003, 1}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{30257, 26651, 22815}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{165214, 135857, 129578}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{40094, 29973, 31982}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{61909, 39001, 43834}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{204193, 157126, 153000}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{71231, 60081, 55683}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{84052, 73942, 69597}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{70312, 55021, 1}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{22703, 19684, 18362}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{405863, 298437, 303652}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{41664, 30308, 29013}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{55496, 47836, 50731}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{34136, 25920, 26677}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{43833, 43045, 67141}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{363727, 340896, 522535}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{64203, 56750, 55584}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{263997, 199555, 187252}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{223236, 155378, 149089}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{56969, 49021, 40185}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{44729, 30099, 29124}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{335348, 260822, 261817}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{36695, 27156, 36233}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{88861, 70105, 67896}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{20341, 14143, 12821}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{196984, 152928, 139030}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{84017, 84574, 75318}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{29845, 25799, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{135964, 110786, 108477}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{77037, 60705, 55627}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{2019063, 1550938, 1384856}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{34909, 23123, 19544}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{19910, 17346, 18838}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{101654, 99282, 77800}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{85339, 71031, 69238}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{25559, 22492, 24765}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{200696, 155396, 143653}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{337109, 258491, 227868}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{39155, 48453, 1}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{62970, 54418, 1}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1431797, 1178134, 1173290}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{94397, 78034, 76212}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{60390, 53062, 56793}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{843538, 677725, 647534}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{51189, 44889, 54226}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{15302, 1, 22582}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{342262, 267983, 246545}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{45344, 42647, 37571}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{34718, 30343, 22403}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{79729, 64092, 63037}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{119239, 103553, 104207}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1806329, 1520107, 1527379}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{192688, 140029, 149342}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{54927, 43930, 43019}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{67785, 61892, 56408}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{61820, 1, 49565}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{71354, 59762, 63187}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{148643, 63955, 94654}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{94237, 65434, 66793}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{24886, 19561, 18154}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{39645, 37979, 35110}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{602910, 471382, 461904}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{71329, 81961, 73930}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{23522, 21959, 90893}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{234159, 182494, 182114}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{30963, 22150, 23650}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{126694, 101912, 100360}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{29020, 18140, 17385}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{58519, 83450, 122152}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{27697, 18491, 24677}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{488947, 381073, 390254}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{34651, 30436, 28906}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{78570, 64413, 67928}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{350403, 343103, 335893}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{32494, 20337, 23426}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{29381, 1, 21324}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{180966, 148100, 147019}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{242829, 184155, 214671}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{30741, 24628, 27882}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]"\
, ""}}, {414.2078, 12.023414, "Meta"} -> {{121864, 101292, 109746}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{20776, 21197, 20456}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{49637, 46332, 60252}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{177956, 126479, 124424}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{22410, 18359, 19856}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{392238, 273383, 299199}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{3.31*^7, 1, 2.48*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{366689, 322537, 317341}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{822693, 611645, 680936}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{72653, 70002, 72112}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{152531, 127904, 111609}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{40178, 31763, 30511}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{41006, 41761, 39764}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{24165, 19285, 26061}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{21473, 21089, 20412}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{97685, 87673, 85224}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{38687, 1, 25315}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{34184, 28546, 25633}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{43577, 34667, 34695}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{54405, 50859, 46578}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{41367, 33005, 36267}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{372933, 278761, 292022}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{49171, 54918, 28738}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{20159, 1, 17463}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{29527, 27882, 22830}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{68394, 51328, 51326}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{83757, 70624, 69497}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{36129, 27538, 28076}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{591669, 521168, 527385}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{22869, 23166, 20959}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{67913, 51486, 56911}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{21457, 1, 1}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{252789, 230386, 235603}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{80102, 72489, 67983}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{131895, 98722, 99434}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{45256, 33807, 32550}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{40898, 1, 31480}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{30937, 27524, 27842}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{76719, 57880, 58993}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{71861, 52302, 57335}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{920582, 808232, 791886}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{104818, 101534, 96037}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{21488, 23067, 19727}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{165835, 172932, 87433}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{185181, 142995, 143465}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{101944, 83486, 78717}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{114042, 100130, 73449}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{38953, 26753, 28377}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{129375, 90925, 99698}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{30785, 26655, 27427}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2870959, 2270872, 2295621}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{32636, 22023, 23374}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{43617, 1, 1}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{29731, 23057, 18442}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{228718, 192429, 181683}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{258845, 226583, 221834}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{1246579, 1001110, 999192}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{34855, 30440, 31516}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{116461, 87695, 83932}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{84315, 61853, 76859}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{123281, 99028, 101205}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{138914, 114425, 112885}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{161831, 141389, 133374}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{69094, 58852, 57572}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{78505, 116899, 141834}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{35463, 30128, 26950}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{33278, 17793, 16453}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{456670, 397806, 378891}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{92009, 74196, 71240}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{44085, 44217, 1}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{25418, 39087, 1}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{49514, 46869, 41818}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{40301, 40472, 41368}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{41148, 30926, 17824}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{50996, 45671, 49930}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{91039, 63767, 69990}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{60167, 47024, 46183}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{81024, 13128, 1}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{327034, 260594, 259040}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{68007, 68623, 69420}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{301512, 270516, 249203}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{589239, 536926, 499771}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{36208, 31587, 31842}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{29523, 39051, 45094}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{37924, 35264, 36337}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{65159, 80170, 83710}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{350498, 297084, 290148}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{31106, 1, 1}, {"17a-Ethynylestradiol \
6-glucuronide [ C26 H32 O9, db=30.98, overall=15.49, KEGG ID=, CAS ID= ]", 
      ""}}, {504.3295, 12.476778, "Meta"} -> {{17322, 16267, 1}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{524994, 413653, 403806}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{36579, 30889, 29306}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{143801, 121378, 125687}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{129114, 113154, 119871}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{181605, 130153, 140203}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{111307, 92895, 84502}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{1.3*^7, 1.02*^7, 9922009}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{378425, 327777, 333067}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{28257, 22272, 21520}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{46411, 42828, 38913}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{58423, 44063, 40715}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{194586, 112005, 95054}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{97690, 78765, 79660}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{5693780, 4589155, 4528343}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{36546, 29182, 28570}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{74987, 63071, 64737}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{86631, 81384, 92621}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{73549, 62659, 61761}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{49166, 39318, 36095}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{32476, 35860, 35088}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{181585, 182271, 186633}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{34874, 28602, 32858}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{238772, 209579, 212631}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{77413, 1, 75297}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{117910, 106352, 102613}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{27135, 21556, 20964}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{40163, 37152, 33113}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{95006, 81404, 83978}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{483021, 459176, 427969}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{54136, 57440, 37661}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{18286, 17522, 17499}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{113178, 106686, 103759}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{50804, 49261, 42551}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{73331, 78771, 75332}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{74348, 75802, 70015}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{912308, 1123009, 1051096}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{20487, 16381, 20294}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{37602, 30823, 44608}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{50321, 39280, 1}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{135091, 148149, 124074}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{117453, 103855, 116383}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{121208, 95107, 91815}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{6964056, 6042629, 5816480}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{66352, 45284, 49590}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{84624, 83941, 79897}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{47276, 42755, 40448}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{234999, 221641, 216147}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{28618, 23856, 25846}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{51340, 51516, 47565}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{37581, 35821, 29097}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{29865, 30914, 31490}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{44024, 44481, 46784}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{42848, 67982, 73089}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{213094, 184503, 180039}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{112249, 105416, 102447}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{127429, 118990, 137950}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{30488, 23575, 21003}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{574525, 546230, 530535}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{59997, 57247, 51189}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{26648, 32705, 27807}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{114072, 113075, 109861}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{40202, 44044, 39355}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{130314, 165278, 155380}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{368813, 312007, 376021}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{175875, 142574, 158096}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{2303343, 1952371, 2065761}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{137772, 122183, 113842}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{38606, 42008, 36534}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{712864, 606410, 599613}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{150191, 148000, 139963}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{132046, 102884, 1}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{99857, 67099, 1}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{109582, 24536, 23996}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{647434, 498132, 491423}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{12282, 1, 1}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{219215, 242610, 214790}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{404739, 319571, 336078}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{46056, 57622, 45241}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{206894, 179017, 156515}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{26233, 23471, 23123}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{35741, 34016, 32779}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{343422, 315610, 297027}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{480284, 497588, 470212}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{473217, 411985, 392735}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{195953, 201489, 194786}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{432764, 420315, 429370}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{151904, 127529, 115245}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{271636, 245330, 235221}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{83893, 68323, 63690}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{439965, 442571, 417945}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{192807, 162860, 161671}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{30975, 25473, 27410}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{44915, 36841, 40250}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{23285, 19423, 22185}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{150747, 145340, 130216}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{650640, 592068, 571335}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{18179, 17812, 16512}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{261705, 276952, 247812}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{30318, 31457, 33206}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{34638, 38401, 33038}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{944721, 758636, 794404}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{159994, 146274, 140473}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{46861, 32833, 36160}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{3087645, 2465014, 2514335}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{357675, 315329, 306130}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{40728, 38783, 1}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{137998, 122253, 107955}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{50551, 44585, 1}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{81067, 36736, 36285}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{201299, 173093, 171695}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{204585, 182312, 174425}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{33732, 30978, 27274}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{424097, 393864, 346384}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{78950, 74188, 68233}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{522219, 495573, 446641}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{36752, 32746, 32767}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{5289938, 4869048, 4516404}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{657616, 649314, 606818}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{23715, 25973, 24081}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{18281, 21846, 16193}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{45106, 37277, 39095}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{152985, 121367, 114797}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{101097, 44113, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{280255, 209781, 245892}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{68731, 59045, 67802}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{2016933, 2019235, 2111153}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{87954, 77412, 81824}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{86886, 77721, 79073}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{193038, 168819, 161160}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{761643, 547011, 578498}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{25686, 21772, 25931}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{119925, 112896, 115306}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{315078, 248397, 264594}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.84*^7, 2.34*^7, 2.23*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{235737, 209947, 182784}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{861627, 765306, 774120}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{69116, 59733, 55485}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{158085, 158207, 149040}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{34605, 29951, 23126}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{67410, 59187, 1}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{17254, 19468, 21662}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{74451, 1, 55348}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{102208, 62638, 67777}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{63314, 1, 48162}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{59584, 56057, 48204}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{30726, 32567, 36340}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{29838, 54223, 41132}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{15955, 15235, 14486}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{19487, 14866, 20125}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{1102797, 943815, 987943}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{120774, 147525, 147514}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{23046, 25523, 14612}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{71050, 62209, 51365}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{37185, 38355, 36492}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{113376, 86612, 57158}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{151613, 127025, 59273}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{32273, 36012, 39857}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{38352, 36819, 35539}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{835702, 771405, 749071}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{15194, 16394, 14864}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{50052, 35726, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{58835, 50728, 47998}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{70603, 81846, 88751}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{576482, 421427, 421173}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{131682, 92774, 107809}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{205142, 170538, 194406}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{396350, 371460, 360460}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{1705067, 1426918, 1333426}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{182738, 154039, 141614}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{250859, 199272, 202832}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{3892055, 3341704, 3330168}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{26706, 26042, 27636}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3663540, 3243337, 3261663}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{31818, 24081, 26536}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{17265, 16221, 16132}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{81291, 75622, 75739}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{157207, 121662, 116989}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{195948, 181484, 174559}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{595447, 529746, 500226}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{183030, 208642, 197646}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{53914, 61293, 52274}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{38133, 25611, 34934}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{166716, 134608, 141879}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1948566, 1619728, 1580301}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{34434, 27641, 27764}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{214564, 181838, 169869}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{535230, 362343, 384051}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{493274, 554957, 475114}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{130209, 100574, 95917}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{99192, 109241, 104083}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{89488, 73011, 76290}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1829311, 1770057, 1620314}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{184171, 157563, 168701}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{269150, 237268, 229339}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{31342, 24033, 25898}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{277010, 233155, 249285}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{211313, 183674, 168779}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{26525, 29873, 26530}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{230533, 205318, 198978}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{35425, 47543, 41311}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{1320205, 1251895, 1178003}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{406710, 394467, 381679}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{23443, 19205, 18937}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{16649, 24461, 20353}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{53002, 49643, 43094}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{233106, 235376, 218070}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{227913, 235501, 235048}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{35740, 31286, 30919}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{50309, 47524, 38416}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{50321, 64748, 64146}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{118739, 36806, 110476}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{30022, 21873, 24159}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{312347, 289481, 313760}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{117362, 119626, 119990}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{434584, 430948, 416526}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{4669020, 3796853, 4021354}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{90364, 73168, 69792}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{86757, 72736, 71239}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{147282, 137311, 140751}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{4464468, 3275148, 3499099}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2075128, 2007640, 1908213}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{89630, 73537, 72421}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{54215, 61069, 43281}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{2236510, 1737970, 1846465}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{17880, 26480, 44459}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{9035818, 8479147, 8362763}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{37811, 50748, 61982}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1366307, 1212437, 1151864}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{196640, 160651, 158915}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{44326, 35785, 37610}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{166790, 132238, 185707}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{257074, 256620, 242243}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{103334, 89695, 96147}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{94340, 128302, 26936}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{24509, 22214, 22212}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1341191, 1333709, 1272815}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{74667, 1, 80656}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3009734, 2847111, 3067976}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{566242, 433774, 445382}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{50930, 45583, 43132}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{18815, 21126, 1}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{70517, 55324, 56396}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{143590, 136338, 135956}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1165976, 1099641, 1026405}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{910738, 840791, 861879}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{132006, 1, 116663}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{510695, 437813, 426503}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{272209, 267111, 229392}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{447745, 367658, 425360}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{89524, 73699, 70633}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{54020, 29898, 1}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{3663059, 3371303, 3440492}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{333357, 297419, 279693}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{73743, 1, 408568}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{74342, 55539, 60207}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{539668, 560940, 527180}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{889137, 861533, 831369}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{294397, 260158, 260667}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{99987, 96470, 85851}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{193958, 167198, 165758}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{129791, 61798, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{393548, 317641, 280800}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{239669, 212150, 203442}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{25794, 24727, 15980}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{42806, 42193, 44711}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{86246, 68937, 60281}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{122058, 1, 1}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{61244, 54827, 45352}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{67428, 55614, 55135}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{77853, 51090, 54443}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{171029, 164369, 159434}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{23271, 1, 17283}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{33087, 43384, 32558}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{198150, 165140, 171592}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{47752, 75109, 58550}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1374230, 1011516, 1489455}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{332004, 185839, 351845}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{19358, 18876, 15938}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{97520, 78160, 78394}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{147242, 111168, 149530}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{33100, 27931, 38373}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{75939, 106211, 99604}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{11465, 12838, 22528}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{45457, 43798, 36160}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{188542, 177701, 185585}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{31015, 33931, 42065}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{95899, 103610, 96873}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{19549, 21811, 25083}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{32765, 1, 22333}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{57203, 60555, 52838}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{82636, 68818, 70756}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{39985, 42358, 41039}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{92134, 143787, 84950}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{34946, 66191, 32360}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{316984, 320323, 309050}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{16251, 14752, 13490}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{4801941, 3597473, 3946615}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{94171, 93799, 88573}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{603073, 432407, 482329}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1603716, 1612687, 1551309}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{628625, 522295, 536219}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3414433, 3549456, 3380157}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{86577, 84776, 33820}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.36*^7, 1.36*^7, 1.29*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{598972, 444125, 459437}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{37519, 25370, 29002}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{298816, 239731, 253369}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{344134, 1, 322310}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{25501, 1, 13634}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{71691, 78031, 66614}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{49654, 70717, 49302}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{222629, 173682, 156290}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{65132, 58537, 51357}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{41741, 30202, 29922}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{78983, 42835, 61616}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{13845, 1, 1}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{124314, 124429, 84421}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{121971, 97454, 97802}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{30972, 24911, 24405}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{612902, 511957, 436728}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{357343, 274160, 279841}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{28435, 23353, 22995}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{67347, 48618, 45446}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{439165, 423801, 417829}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{973796, 915188, 779585}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{186124, 157795, 157655}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{196951, 173510, 161828}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2727110, 2408427, 2352269}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{327365, 271846, 267945}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{103826, 80825, 80040}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{59951, 65781, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{230528, 219648, 185993}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{285768, 255254, 245417}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{77305, 68621, 47061}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{89664, 82025, 83603}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{25772, 18778, 31607}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{67199, 62855, 54744}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{504104, 510083, 462836}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{65441, 62789, 56619}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{304389, 289531, 258835}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{56359, 62554, 50496}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{33696, 43726, 39364}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{44805, 48814, 47306}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{22184, 19767, 19248}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{124772, 118592, 105567}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{164440, 175038, 168048}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{47229, 63884, 42073}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{873876, 751158, 795548}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{66657, 64655, 62917}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{195319, 184935, 166109}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{3798961, 3024060, 3146373}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{11655, 13622, 12574}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{193291, 215200, 204821}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{20603, 32922, 33286}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{104787, 91897, 90305}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{205140, 184809, 182037}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{51992, 45712, 49077}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{28416, 21689, 19846}, 
     {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{94847, 94348, 97220}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{78068, 72996, 79939}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{50764, 33863, 33419}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{94269, 106056, 91550}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{115467, 60964, 120364}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{425363, 513635, 180386}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{627985, 497793, 469658}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{45509, 33609, 33486}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{124270, 99228, 111731}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{241290, 40310, 23253}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{221061, 217908, 207138}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{41060, 31681, 31577}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{3008025, 2767928, 2834612}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.18*^7, 1.08*^7, 1.08*^7}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{72740, 86356, 90452}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{59476, 50365, 49284}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{64422, 86004, 85297}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{167902, 127545, 122369}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{35184, 35235, 29599}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{63108, 51796, 52634}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{2812567, 1560476, 1643033}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{85963, 81345, 93478}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{228795, 199701, 210683}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{110055, 71422, 1}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{262354, 241179, 230229}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{53202, 62092, 1}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{357026, 1, 336456}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{51357, 48271, 42638}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{548310, 488859, 452698}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{439164, 368265, 358184}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{270960, 203162, 282347}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{224667, 224158, 203736}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{201312, 163064, 171652}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{185445, 172237, 173616}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{721838, 696897, 625826}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{47968, 62608, 39961}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{38246, 40816, 40827}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{119128, 87321, 99168}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{48154, 50136, 40719}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.5*^7, 1.42*^7, 1.27*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{68728, 69949, 60717}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{2046767, 1863948, 1706835}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{20984, 25843, 24385}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{16442, 25122, 21115}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{82269, 97350, 79088}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1480012, 1624896, 1407437}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{36297, 26716, 21822}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{38356, 50418, 39894}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{121544, 107152, 104304}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{68883, 43641, 50779}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{110927, 90417, 90396}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{56430, 52579, 49670}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{106327, 97942, 84292}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{115251, 138993, 165583}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{73101, 88647, 82111}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{122164, 66268, 69648}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{36456, 28695, 28637}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{40348, 28277, 27162}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{2257557, 1798822, 1778335}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{87309, 59595, 51956}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{224892, 201834, 143909}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{89272, 80661, 78537}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{16202, 1, 1}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=75.81, \
overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{108682, 94390, 83970}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{117725, 111913, 77572}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{69356, 49602, 52710}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{234717, 189116, 191434}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{79094, 67503, 66353}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{32553, 27693, 25553}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{181301, 147247, 1}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{63133, 1, 1}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{727774, 514235, 543703}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{34602, 20929, 19387}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{904245, 659410, 694700}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{48658, 38824, 41257}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{32359, 23318, 25160}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{392879, 359831, 375230}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{19503, 20155, 16266}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{41289, 68648, 30191}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{83686, 129340, 64583}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{142163, 122786, 125860}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{712237, 600643, 616456}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{123148, 103003, 85121}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{86746, 74751, 76772}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{520056, 471799, 419152}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{391113, 298771, 270004}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1663526, 1614554, 1615146}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{89977, 86239, 95261}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{41465, 31385, 35087}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{41475, 57105, 56877}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{46943, 26107, 28423}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{166482, 143994, 127404}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{3538916, 3335950, 3071474}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{418536, 373189, 463426}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{298673, 212121, 224868}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{60778, 43124, 40157}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{176517, 179941, 205463}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{942643, 676345, 698144}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{30180, 1, 1}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{24658, 14117, 12168}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{24353, 23793, 75094}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{367021, 278851, 269868}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{63677, 58602, 57803}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{60918, 54382, 53888}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{174411, 195233, 187945}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{165553, 144509, 135139}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{61095, 40339, 42911}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{55782, 47065, 41357}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1082239, 867208, 832705}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{60156, 52405, 47378}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{95727, 91786, 92726}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{8341827, 6499992, 6169342}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{42114, 28792, 1}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{24754, 1, 20651}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{745411, 737141, 611333}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{2010598, 1, 1168070}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{37479, 34744, 30267}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{63601, 55273, 53538}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{15503, 1, 14910}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{53535, 44727, 44221}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{75699, 70087, 64129}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.03*^7, 9389454, 8687451}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{484861, 455116, 656961}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{15409, 21596, 1}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1007498, 1087676, 934038}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{95363, 88206, 84488}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{52534, 78264, 53177}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{58366, 43113, 1}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{49938, 44476, 23526}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{100723, 63873, 64243}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1447594, 1110679, 1087767}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{121662, 106419, 96384}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{89502, 157026, 74516}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{203433, 1, 171627}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{15080, 16817, 23654}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{24039, 50480, 1}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{749915, 651684, 620307}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{30218, 27336, 23166}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{66167, 51118, 48901}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{930009, 827988, 814406}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{59480, 28239, 59843}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{841231, 604962, 714062}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{165107, 114357, 130224}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{33178, 25203, 19165}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{69893, 105374, 81705}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{53784, 71545, 32497}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{51512, 53967, 46875}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{65217, 33639, 65617}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{2149210, 1886341, 2659856}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{377004, 338208, 464816}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{259364, 158338, 272895}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{266506, 156895, 219745}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{37421, 57906, 98310}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{116640, 141950, 174760}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{91085, 82992, 71999}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2477501, 1739439, 2374885}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{54850, 36314, 34812}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{27830, 32272, 33573}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{24413, 18397, 1}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{105190, 81651, 68284}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{211466, 173635, 156236}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{23651, 16464, 16790}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{31165, 21730, 30597}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{213673, 181558, 196460}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{68690, 73641, 64228}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{41506, 45472, 42502}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.9*^7, 1.73*^7, 1.52*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{59887, 68453, 60976}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{112909, 78771, 99172}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{87987, 98550, 75335}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{110174, 91187, 94036}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{23862, 18793, 35845}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{261386, 245455, 233760}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{24234, 29625, 1}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{48849, 49867, 43798}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1616274, 1453429, 1231829}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{165427, 123909, 127914}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{25383, 19919, 21406}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{100515, 112509, 98369}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1720661, 1745270, 1486038}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{114306, 151647, 127807}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{257435, 195955, 187081}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{49648, 36979, 36394}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{74819, 76680, 69365}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{29898, 79559, 31596}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{304487, 260362, 253312}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{61967, 62135, 59490}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{54282, 1, 39712}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{35042, 31498, 28655}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{51212, 54233, 41376}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{1054779, 1024102, 890758}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{22860, 19557, 14646}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{306301, 141008, 142183}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{157717, 153281, 134963}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{52949, 74962, 66319}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{83130, 88641, 68781}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{21880, 24558, 23982}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{344386, 339971, 308460}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1984912, 1951801, 1836586}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{14240, 1, 1}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{48364, 33205, 29821}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{66608, 79128, 58098}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{75668, 70085, 49106}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{51066, 1, 34734}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1801041, 1679257, 1470386}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{33861, 32374, 21375}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{26827, 25235, 1}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{637038, 637311, 636604}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{67199, 74134, 1}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{129382, 129880, 126859}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{135318, 106640, 110522}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{92175, 89327, 69630}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{19049, 27326, 27293}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{7589634, 6095856, 6322674}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{223043, 243146, 293295}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{42777, 54261, 50384}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{31918, 22178, 16496}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{54428, 46325, 25112}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{219184, 133693, 130003}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{51389, 35451, 29673}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{214293, 205198, 281745}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{438977, 306800, 291170}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{69676, 49578, 47309}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{90713, 86662, 106469}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{55039, 50946, 53205}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{14414, 17223, 23376}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{469538, 459700, 557387}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{20740, 20585, 26616}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{64577, 58961, 100110}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{873580, 582659, 987964}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{43151, 45258, 28267}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{50044, 29996, 34045}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1314223, 1226996, 1479241}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{116803, 111902, 141172}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{8159741, 5956226, 9231698}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1124787, 1062818, 1346173}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{146611, 92945, 89112}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{33998, 25919, 28942}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{165575, 152137, 205769}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{33232, 29015, 24225}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{78062, 87452, 151742}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{84445, 95938, 109223}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{36240, 25312, 21022}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{125632, 143758, 150351}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{281635, 215876, 204689}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{109667, 95243, 83521}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1821135, 1529050, 1422025}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{40679, 34177, 37723}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{70810, 56293, 61885}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{31962, 48489, 47395}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1898817, 1613781, 1326130}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{97784, 89240, 79079}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{135542, 112333, 119865}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{149967, 153490, 152868}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{12300, 17194, 11685}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{73939, 73192, 61715}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{25379, 25228, 21448}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{22951, 19718, 18793}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{170554, 153117, 116504}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{769283, 691785, 1}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{176631, 192724, 147565}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{28731, 35853, 32890}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{22985, 31577, 26601}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1633052, 1526243, 1498967}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5481518, 5158740, 5024886}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{43631, 55932, 86214}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{126172, 49102, 108430}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{832037, 21552, 869416}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{91716, 71767, 86154}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{277530, 433740, 315666}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{123692, 127391, 131220}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{123516, 105638, 102293}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{30182, 33713, 39703}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{35615, 30545, 24019}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{50475, 42179, 41528}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{111262, 84938, 89779}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{808357, 615950, 573992}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{3.17*^7, 2.65*^7, 2.52*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{314038, 290722, 270839}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{36078, 26321, 22461}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{900117, 834576, 805042}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{1.1*^7, 8840472, 8453137}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{40352, 37848, 34319}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{126065, 106951, 107553}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{10660, 1, 1}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{374328, 310099, 325388}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{70169, 79452, 70675}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{388771, 285291, 324828}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{124245, 106512, 100030}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{31422, 24149, 24985}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{131045, 97415, 124639}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{71777, 54558, 49448}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{30773, 25039, 25530}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{83092, 76959, 80368}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{78118, 58567, 64630}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{347760, 293514, 277563}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{91182, 96848, 95378}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{590153, 542556, 586251}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{1788749, 1703916, 1652664}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{2986816, 2342986, 2298015}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{184604, 172456, 173524}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{167897, 126367, 115374}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{95680, 86568, 80985}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{14463, 16215, 14533}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{78494, 69531, 56293}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{3229169, 2894330, 2715921}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{151446, 91649, 109823}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{397274, 344001, 271574}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{117473, 136482, 161625}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1991341, 1896449, 2120794}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{69867, 85926, 92134}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{615217, 522867, 468652}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{72812, 62949, 48564}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{54797, 64415, 60798}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{182483, 146575, 1}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{31606, 1, 36321}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{41404, 50208, 53670}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{20590, 192672, 138891}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1618257, 1558118, 1377169}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{164406, 125699, 118992}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{194801, 210945, 273379}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{422417, 446746, 492105}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{2623648, 2811426, 2928700}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{194876, 197078, 178354}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{10968, 1, 10336}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{86461, 71156, 78005}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{225985, 167482, 138803}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{61708, 63378, 54363}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{173776, 174186, 163520}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{72471, 79206, 63782}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{60733, 61873, 50533}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{2294514, 2169330, 1911608}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{1201670, 1150606, 796225}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{28805, 37955, 39018}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{53573, 48143, 44520}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{33259, 39914, 31552}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2009877, 2037265, 1964201}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{654886, 507726, 593748}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{67157, 59234, 46181}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{27782, 28873, 22930}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{31089, 28309, 28746}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{316480, 274289, 210593}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{100256, 83690, 59102}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{50406, 50032, 34263}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{77606, 69358, 50709}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{46558, 37453, 37226}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{220756, 241543, 222495}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{234183, 1, 168762}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{82589, 87746, 1}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{23178, 30864, 25902}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{117730, 120542, 90225}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{34062, 33415, 25737}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{33215, 27476, 20614}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{367717, 242981, 312809}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{87327, 68773, 61090}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{108462, 57541, 54873}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{330590, 258863, 230155}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{115094, 125099, 97935}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{64923, 58870, 64276}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{60838, 1, 63642}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{50958, 45652, 39185}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{61333, 85983, 60580}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{306229, 209543, 189750}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{68295, 57442, 49455}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{2745512, 1762878, 1788769}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{92702, 65906, 62737}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{314869, 274898, 244060}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{71786, 65179, 52372}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{148334, 141547, 107466}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{44533, 31757, 25451}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{568725, 529289, 487892}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{130768, 102087, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{35430, 50960, 28872}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{43519, 32244, 1}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{24344, 23419, 13142}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{264306, 179404, 171266}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{146331, 93704, 137820}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{364616, 366833, 207545}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{275089, 201795, 333369}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{991300, 762628, 1252546}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{122185, 128690, 90591}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{158940, 138087, 268348}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{124530, 118747, 113082}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{549150, 650522, 577100}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{267077, 142505, 239762}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1032987, 795314, 1067645}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{3510167, 2429497, 2216397}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{717775, 690267, 582341}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{78191, 113206, 83554}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{96447, 109441, 83248}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{695563, 688004, 681379}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{21373, 27643, 22495}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{436132, 353840, 329468}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{47005, 56451, 55486}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{39277, 1, 28254}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{224354, 176357, 178863}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{58117, 57952, 53617}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{30002, 21396, 17319}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{59284, 75159, 71173}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{474177, 643184, 496311}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{6.21*^7, 4.54*^7, 5.23*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{53164, 56543, 72257}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{69790, 76568, 78719}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{73889, 69726, 60722}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{11840, 16377, 13274}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{100022, 95061, 54771}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{47383, 40988, 31552}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{195842, 175146, 173330}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{37400, 39719, 31561}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{28906, 27130, 41589}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{33809, 30647, 41713}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{88630, 72437, 69155}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{112536, 117884, 97883}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{237518, 252840, 253945}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{58177, 1, 76407}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3431430, 3526814, 3232797}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{31559, 26047, 27865}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{74789, 87983, 109877}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{32346, 30876, 21887}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{31990, 34701, 41526}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{34850, 43965, 59250}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{17930, 17186, 14657}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{63475, 48706, 43403}, 
     {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{57095, 53063, 44667}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{122299, 132337, 106790}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{130208, 104410, 87830}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{234337, 166743, 169371}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{89234, 92687, 69385}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{29067, 31808, 20271}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{97382, 69349, 70786}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{43270, 62656, 54502}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{6410446, 5506124, 5134653}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{18291, 14786, 12226}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{971899, 1005440, 980990}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{128617, 105618, 108989}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{314190, 263245, 240202}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{138654, 134429, 125001}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{246670, 236686, 238453}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{75033, 58351, 52441}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{53057, 53373, 50460}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{42546, 50208, 1}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1989038, 1896245, 1842430}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{92783, 97297, 95095}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{167500, 226000, 201314}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{58791, 105244, 40173}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{40531, 1, 39989}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{576318, 497993, 467886}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{51858, 44836, 32907}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{89094, 85309, 85137}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{54275, 37520, 51772}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{103830, 50137, 81445}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{354549, 220203, 340083}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{97597, 88337, 67020}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{39736, 1, 39237}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{891462, 776175, 1043211}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{31998, 47415, 43796}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1365993, 2009503, 1775972}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{52794, 47745, 33517}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{133509, 107221, 140046}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{40734, 41629, 32631}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{290022, 255722, 205412}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{370438, 331836, 275749}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{229580, 205985, 157986}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{159097, 70030, 138835}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{748951, 542192, 845213}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{491084, 305312, 438656}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{396776, 388233, 295816}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{151337, 67869, 73287}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{4797461, 3872322, 4875314}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{76403, 71364, 70580}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{62961, 50449, 38517}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{760519, 649561, 612982}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1270913, 1361874, 1191848}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{435404, 432791, 383793}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{126116, 144607, 99345}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{98685, 77514, 46762}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{988733, 1028324, 950240}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{674657, 555446, 520397}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{25622, 24387, 20356}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{39864, 22439, 1}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{28612, 36832, 1}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{22512, 25137, 22556}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{54569, 62241, 60409}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{132401, 145608, 128989}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{41770, 46995, 36462}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{9.04*^7, 8.26*^7, 7.56*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{57635, 48362, 33150}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{32387, 29652, 24224}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{24591, 27019, 22369}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{122820, 132151, 120268}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{48066, 59521, 48291}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{12944, 13676, 13830}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{34446, 37564, 30993}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{124246, 107583, 103668}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{24052, 25511, 17880}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{21509, 21953, 15993}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{113323, 114623, 108296}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{36964, 55385, 33313}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{616544, 438086, 388852}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{150061, 192665, 163019}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{31464, 26738, 23452}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{18533, 20914, 17924}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{9093, 11026, 1}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{81460, 84102, 84186}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{65664, 66544, 35300}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{243491, 223663, 217549}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2801097, 2895700, 2501071}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{1334584, 1172534, 1026131}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{40235, 127652, 99461}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{48598, 46758, 33331}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{20418, 22632, 21551}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{393621, 435855, 402241}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{59119, 57391, 59272}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{39135, 1, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{269231, 184582, 122594}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{32302, 24091, 26789}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{19273, 16057, 22885}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{352843, 278504, 309577}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{79848, 55787, 26580}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{26918, 16172, 20670}, 
     {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{57180, 1, 43865}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{364261, 365545, 323956}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{355257, 46605, 39121}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{65334, 55688, 56088}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{162509, 1, 131159}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{60572, 388525, 46472}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.13*^7, 9609775, 1.09*^7}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{82139, 76135, 70311}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{308268, 162944, 197390}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{309208, 240885, 179939}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{2018936, 1473960, 2277864}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{1.93*^7, 1.39*^7, 2.15*^7}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{51204, 48253, 46523}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{911269, 826104, 1001139}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{127063, 109139, 137073}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{4395128, 3189062, 4187654}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{35983, 32857, 42064}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{272346, 179021, 204472}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{680847, 624560, 945933}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{9806810, 8843477, 1.12*^7}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{61881, 52305, 62349}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{105597, 88717, 101654}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{316153, 392378, 436282}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{915539, 813911, 715559}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{257165, 242142, 184862}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{129342, 100541, 115964}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{21188, 18490, 18621}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{68252, 63690, 67163}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2526263, 2362369, 2073868}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{149930, 153919, 175586}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{28290, 25004, 17956}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{197811, 171269, 194588}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{195219, 1, 97197}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{158169, 94787, 96401}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{31909, 22755, 34934}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{134023, 139144, 138825}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{42377, 21708, 23225}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{28679, 29876, 21967}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1712605, 1500025, 1836444}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{656161, 684411, 591149}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{123258, 150037, 138757}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{57553, 115262, 98658}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{48199, 91446, 69998}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{5109961, 4561256, 4283084}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{105537, 149231, 184764}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{43988, 68882, 51336}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3825612, 4109108, 3441106}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{756202, 621691, 573300}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{92842, 104630, 106477}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{27455, 22284, 22977}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{64901, 101690, 72418}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{389222, 389912, 328736}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{487036, 440547, 362212}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{28025, 22337, 22767}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{182207, 190159, 180553}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{36838, 38200, 46093}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{175626, 170518, 143977}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{27073, 26514, 29932}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{32590, 27311, 26714}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{321428, 298807, 342407}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{477073, 365586, 343669}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{50874, 49071, 41033}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{566007, 417256, 392145}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{65766, 80870, 75717}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{55748, 1, 62590}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{87975, 69081, 68707}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{97004, 88389, 78172}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{196110, 157918, 208440}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{41158, 24329, 25658}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{130966, 279209, 118352}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{3283753, 3053589, 2955570}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{157002, 158659, 145126}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{51981, 57337, 49350}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{430394, 422143, 358260}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{37911, 39117, 32127}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{335618, 327288, 347663}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{590567, 515074, 422933}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{24207, 24165, 18344}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{82859, 105846, 96382}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{9481909, 7092522, 6531020}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{297832, 263507, 1}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{35275, 49609, 40680}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{65891, 1, 1}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{61270, 107390, 102860}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{671233, 522907, 494107}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{105601, 88539, 1}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{111771, 72261, 1}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{159163, 121911, 116381}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{72831, 51569, 55173}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1160569, 1010909, 1004529}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{110653, 82610, 86829}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{357019, 327711, 361100}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{61610, 1, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{52208, 36372, 40447}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{145419, 107374, 163189}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{614063, 525930, 521458}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{103175, 75947, 73250}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{120058, 75096, 99778}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{7378587, 5445141, 5240389}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{207642, 171296, 157652}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{119234, 94201, 109198}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{4451214, 3191073, 3023921}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{65845, 30573, 32318}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{547174, 403947, 404239}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{32359, 43612, 34914}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{76928, 54475, 49356}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{97675, 63632, 48191}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{465431, 1, 445132}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{22346, 38059, 30069}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{499656, 406385, 365805}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{693526, 570747, 547122}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{9633588, 6821944, 6439400}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{138066, 33585, 29149}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{226642, 1, 37114}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{947277, 736078, 688428}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{31268, 45651, 32896}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{243633, 217772, 211834}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{67477, 46621, 45357}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{497574, 353388, 495176}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{187313, 110154, 171282}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{39227, 1, 65569}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{2731239, 4109940, 4018369}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{73271, 42013, 95560}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{154967, 125812, 124061}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{575075, 404389, 378231}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{978845, 991777, 927394}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{56442, 45109, 53925}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{163884, 126336, 120531}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{359281, 245570, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{111560, 1, 85089}, {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", 
      ""}}, {566.526, 14.376572, "Meta"} -> {{22188, 21529, 19810}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{217458, 215357, 315312}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{25944, 18622, 17251}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{139072, 83795, 74381}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{31409, 20581, 27132}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{118571, 116509, 121066}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{25875, 22684, 25984}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{673714, 626406, 622033}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{21777, 21920, 23686}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{69918, 60595, 66679}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{587754, 402829, 412068}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{55185, 57828, 59256}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{5.03*^7, 4.14*^7, 4.14*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{63524, 68545, 66579}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{50192, 44454, 59439}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{103411, 120783, 104367}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{32191, 33425, 33213}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{151178, 123675, 134236}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{40292, 42361, 45650}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2050591, 2276554, 2225737}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{31202, 29704, 19720}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{140444, 108436, 115141}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{297626, 289387, 249288}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{349340, 518034, 432419}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1996125, 1333726, 1258152}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{155484, 110313, 94748}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{2169572, 1998296, 1894168}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{412204, 283472, 278332}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{108059, 67839, 1}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{2098785, 1508883, 1551399}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{574703, 399965, 388010}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{865603, 730923, 437466}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{1159450, 793553, 782663}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{32496, 20264, 19285}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{67321, 17939, 80666}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{624562, 1, 1910717}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{85674, 1, 37521}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{476802, 278396, 287756}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{207193, 189920, 35149}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{55739, 45828, 238339}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{665205, 1767419, 373828}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{3121793, 2062422, 2079666}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1174230, 973151, 743204}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{74848, 48585, 19400}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{4041316, 3078781, 3095298}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{18838, 38401, 1}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{104148, 17236, 47840}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{36655, 18889, 17233}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{62957, 48022, 49076}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{472773, 1, 29590}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{81822, 49604, 24562}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2575917, 1872648, 1780951}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{71459, 40728, 39698}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{15822, 23039, 18118}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{435200, 316464, 325106}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{431724, 232677, 234790}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{548294, 376140, 370019}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{387873, 264410, 1}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{5169450, 4398999, 1318294}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{71992, 69443, 70325}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{934067, 723594, 724278}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{123737, 58287, 63521}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{2083180, 1, 1319063}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{359220, 301174, 292920}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{44979, 38872, 62568}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{243926, 211359, 207363}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{157518, 64316, 141137}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{292734, 170703, 238487}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{517329, 373653, 577078}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{2098604, 1566824, 1533230}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{928428, 578795, 497493}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{643217, 1, 210690}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{96807, 54801, 39253}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{80257, 1, 49488}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{123605, 95611, 105637}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{40605, 39033, 70756}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1056611, 1, 879880}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{33714, 91112, 24414}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{467080, 211914, 449147}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{143357, 1, 105233}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1395785, 1147371, 1042899}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{711669, 324184, 536554}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{219347, 157137, 151014}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{409048, 303715, 292178}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{220041, 184061, 190624}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{32315, 34068, 35020}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{145652, 187046, 180418}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{131790, 130744, 117230}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{67474, 48568, 39621}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{2548964, 1975764, 1859714}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{312947, 304569, 235897}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{341186, 241759, 260932}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{764528, 717974, 655170}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{117788, 97888, 75808}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{131043, 113790, 110512}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{772378, 728561, 683669}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{22843, 23313, 25516}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{215766, 304925, 149575}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{97366, 93648, 92923}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{369806, 333511, 337913}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{223318, 192536, 166425}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{155988, 189856, 177482}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{59879, 67164, 53473}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{33948, 36017, 35621}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{69493, 81095, 68714}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.35*^7, 2.6*^7, 1.94*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{94550, 177168, 183892}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{16910, 14196, 15815}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{145650, 108074, 106516}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{25315, 57955, 1}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{52494, 63810, 65565}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{201977, 188673, 204005}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{29204, 36744, 37376}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{26419, 30210, 35106}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{168215, 134266, 157887}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{101853, 137853, 171097}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{126593, 128536, 103067}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{60523, 62486, 61470}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{2343289, 1761072, 1613312}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{178624, 882973, 840534}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{160111, 175734, 160979}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{575204, 646941, 610600}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{99778, 115870, 85805}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{690576, 625492, 621698}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{2192781, 1984771, 1844055}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{107040, 85214, 96327}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{63353, 1, 65948}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{94464, 89772, 88533}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{441130, 431216, 396084}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{275935, 64227, 141954}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{229772, 173844, 178615}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{669853, 619132, 581946}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{48723, 50579, 52679}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{81164, 74835, 70105}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{28036, 33641, 32925}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{29477, 24604, 22567}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{626904, 502304, 541761}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{55203, 56507, 58820}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{102786, 1, 82247}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{104973, 109091, 96384}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{135956, 139410, 118987}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{205347, 224954, 212775}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{49669, 62018, 61004}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{126410, 1, 1}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{41047, 43972, 43327}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.12*^7, 2.16*^7, 2.6*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{198813, 87494, 73601}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{31150, 40123, 41173}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{117468, 76807, 1}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{69777, 67870, 56333}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{496881, 443619, 405754}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{524461, 440295, 444925}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{48518, 1, 1}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{122849, 204133, 152756}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1703165, 1374510, 1287616}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{94421, 74100, 66934}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{844187, 869261, 874840}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{675763, 707799, 626402}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{85809, 83202, 95128}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{161469, 147935, 159197}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{72323, 62007, 45296}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1350971, 1219158, 1286955}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{192389, 188324, 184893}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{152426, 139578, 153909}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{29142, 1, 61122}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{242639, 269661, 227445}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{135561, 102598, 104177}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{521703, 460455, 442416}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{54411, 51324, 54598}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{110350, 59814, 50933}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3559194, 3054515, 2961842}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1481068, 1239482, 1204815}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{41867, 33893, 38754}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{416976, 295154, 294677}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{484489, 435866, 430287}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{199933, 180080, 171537}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{611681, 534261, 487523}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{180322, 141001, 120806}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{72352, 69078, 69759}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{288178, 254767, 228685}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{109389, 94551, 109536}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{154968, 114282, 109193}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{223991, 191952, 169000}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{198433, 171668, 159581}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{136308, 107249, 112734}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{398468, 402776, 101802}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5be\
ta-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{15895, 64570, 45462}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{242529, 167177, 190166}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{1246871, 1086672, 932481}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{134723, 75642, 118184}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{1253578, 873333, 840181}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{136916, 105502, 142178}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{893322, 896046, 838717}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{112959, 88055, 99495}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{36166, 1, 1}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{40440, 44188, 49749}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{170473, 193199, 190417}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{47578, 46359, 47382}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{243092, 238028, 236279}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{19506, 23802, 18838}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{45851, 54012, 49813}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{63920, 73281, 75042}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2240760, 2266269, 2185063}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{51083, 36675, 43722}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{495146, 432708, 437781}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{91546, 84192, 79306}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{61230, 62830, 53124}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{50384, 48093, 53961}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{121365, 1, 82589}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{254168, 230766, 228147}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{82499, 80393, 79904}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{437456, 369727, 367236}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{1688975, 1635976, 1480097}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{229653, 196700, 202722}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{369030, 307827, 382820}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{302249, 266291, 259960}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2848352, 2619985, 2666616}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{38258, 37254, 35507}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{35022, 39452, 39276}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{78982, 104242, 49876}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{207893, 236872, 201896}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{278004, 223077, 1}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{3691133, 2787658, 2547195}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{122383, 104492, 107382}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{94212, 80507, 82692}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{17875, 19264, 18931}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{62379, 85202, 51148}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{100436, 79287, 86704}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{132997, 98301, 90951}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{92543, 93455, 94428}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{198743, 169467, 156194}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1089836, 924626, 883879}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{26763, 1, 1}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{49855, 43921, 42126}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{96289, 88547, 80748}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{898441, 957700, 891295}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{245596, 220882, 214537}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{86416, 105804, 98836}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{318004, 191218, 191992}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{48065, 35219, 46842}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{74891, 83121, 78324}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> {{122143, 116914, 112302}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{99211, 122782, 103576}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1421941, 1203531, 435576}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{41057, 35358, 35581}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{144078, 1, 123608}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{14304, 19064, 16432}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{71609, 68858, 74311}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{1764334, 1383587, 1339306}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{33572, 20657, 43146}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{2270748, 2221292, 1996984}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{60956, 67200, 48185}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{109735, 98752, 88125}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{197356, 181850, 169071}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{73894, 80901, 55451}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{364831, 529292, 579377}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{40329, 40449, 38956}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{343732, 302585, 308370}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{30168, 36238, 37645}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1028525, 924825, 975320}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{62986, 77992, 52959}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2924073, 2129938, 2057047}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{101522, 84398, 83971}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{4654401, 3937975, 4465404}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{76319, 57973, 63562}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{392413, 324756, 321457}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{120202, 115144, 106498}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{1071537, 899847, 852860}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{62451, 52414, 61362}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{8439945, 6391119, 6908893}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{176347, 155280, 145865}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{77928, 93407, 63583}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{144679, 127541, 129725}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{64875, 58353, 65164}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{438766, 425932, 436856}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{501308, 423815, 419110}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{335127, 282722, 271020}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{28580, 30398, 28415}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{61496, 62141, 50816}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3398377, 3581360, 3522199}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{52446, 51370, 49671}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{71114, 49984, 1}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{123199, 93374, 96728}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{52160, 16602, 37384}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", 
      ""}}, {608.4326, 15.080034, "Meta"} -> {{57368, 67916, 75534}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{43313, 54082, 39503}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{127143, 104700, 82016}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{1602406, 2484687, 2358031}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{47384, 46629, 42530}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{68468, 63513, 58995}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{61209, 55008, 58428}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{153221, 91781, 91525}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{179681, 175710, 167796}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{40344, 36748, 40873}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{16391, 63706, 20996}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{294317, 260419, 250423}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{38640, 34614, 37382}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{487397, 397644, 394636}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1295617, 1261151, 1181351}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{552313, 495445, 460685}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{20761, 23123, 21191}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{26014, 33807, 31366}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2246801, 1772374, 1608172}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{56187, 57468, 53470}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{9178734, 7662557, 7419306}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{933397, 1093281, 964400}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{431103, 287533, 275116}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{88184, 90057, 84829}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{30488, 21633, 1}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{242282, 194738, 204032}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.91*^7, 1.98*^7, 1.92*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{81582, 61620, 61744}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{111033, 99027, 93852}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{68146, 37086, 44507}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{241600, 208719, 176451}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{12159, 1, 1}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{161790, 132375, 121367}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{65727, 70021, 68451}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{654647, 552588, 549743}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{35798, 22459, 16326}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{26405, 37646, 35003}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{17192, 27157, 27526}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{888705, 325992, 330255}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{191274, 170616, 160413}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{24276, 27622, 22685}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{151752, 140620, 147687}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{110137, 124750, 120421}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{111430, 118174, 102281}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.67*^7, 1.4*^7, 1.36*^7}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{211114, 166604, 173108}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{8370742, 8232653, 8059457}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{139594, 116808, 93215}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{210974, 211575, 210102}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{39698, 39675, 35739}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{112897, 80540, 93197}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{12157, 30189, 1}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{11570, 16931, 15671}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{82660, 63809, 68168}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{3198911, 1, 1}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{4300487, 2877675, 2731778}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{25224, 26580, 26150}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{309285, 285341, 291831}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{50221, 42255, 41617}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1592175, 1543127, 1530223}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{11619, 1, 1}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{1.04*^7, 9009351, 8944629}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{1122081, 1117449, 1054223}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{99758, 90263, 90485}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{192564, 192439, 206816}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{265978, 270865, 260616}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{28388, 25769, 29492}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{12657, 19362, 9998}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{54735, 51563, 51488}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{187425, 171174, 161461}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{37432, 32377, 23919}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{27169, 25754, 25213}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{567039, 593415, 542157}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{59539, 57305, 86462}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1183908, 1223181, 973574}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{3854410, 3839448, 3511835}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{24233, 23518, 23297}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{495935, 450764, 502381}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{114778, 107459, 110120}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{1174833, 994489, 953458}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{244301, 235711, 219948}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2343710, 2296611, 2204010}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{40072, 40776, 35086}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5657862, 5539049, 4458926}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1522763, 1483257, 1480981}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{271028, 291842, 287569}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{236301, 206636, 205943}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{50995, 58982, 52266}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{106495, 90346, 88368}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{31580, 24879, 29753}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{477966, 450937, 431150}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1160081, 1143377, 1115290}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{54291, 45811, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{69368, 62723, 59203}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{443616, 440034, 431800}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{3034371, 2988643, 3004275}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{86464, 74748, 73849}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{1851670, 1925617, 1894580}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{38679, 40692, 34190}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1081843, 1060433, 1010592}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{163074, 135303, 136445}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{295052, 111253, 100347}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{57585, 54905, 49672}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{25563, 21981, 22585}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{232620, 221902, 226855}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{75688, 68403, 58584}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{93856, 111214, 115317}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{61397, 74055, 60292}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{327320, 352451, 348513}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{2056824, 2016393, 2042481}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{99799, 92753, 98369}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1642432, 1685700, 1592860}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{300771, 299065, 311526}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{6121691, 5714928, 6105854}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{24725, 25790, 23826}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{61940, 59670, 57910}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{207171, 210563, 200456}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{978559, 958563, 930770}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{257169, 295199, 301301}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{158134, 179730, 185154}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{1099863, 1043280, 1123591}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1053219, 1055593, 987822}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{26406, 23123, 23105}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{301691, 368072, 383517}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{174611, 151214, 160561}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2789329, 2778092, 2459390}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{694326, 732931, 773843}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{87083, 81188, 70872}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{248106, 286767, 300128}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{229000, 195154, 192424}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{428043, 404486, 368554}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{109437, 97086, 95385}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1091774, 1256166, 1298476}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{238513, 235113, 190397}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{251438, 245161, 254178}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{101517, 95921, 99091}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{284741, 225143, 217035}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{153658, 135725, 133488}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{447708, 348710, 338861}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{116090, 57109, 79074}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1477086, 1399093, 1238227}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{180758, 160137, 150094}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{303372, 266347, 394050}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{116730, 99055, 94286}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{21054, 23215, 22919}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{227113, 376279, 202369}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{81292, 70408, 52700}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{70711, 56071, 60465}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{739008, 646224, 680871}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{72108, 50728, 98129}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{204970, 213247, 207941}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{137041, 77008, 67156}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{25455, 26774, 26785}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{102584, 98537, 115502}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{515003, 428866, 403700}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{53685, 43725, 54895}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{1257610, 1077413, 1110875}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{842705, 914568, 972312}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{33076, 41358, 39700}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{94735, 79644, 84130}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{85314, 78720, 77642}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1197825, 1375355, 1464570}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{52880, 65687, 55233}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{46366, 40387, 61797}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2332943, 2436775, 2290223}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{257332, 220069, 1}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{652998, 598637, 596913}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1575616, 1440204, 1630722}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{174122, 1, 69472}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{54060, 59756, 51659}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{129490, 122918, 118693}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{261780, 238337, 210526}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{361181, 510103, 303481}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{41912, 54710, 53840}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{407875, 343428, 353848}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{844909, 739999, 722025}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{139612, 158427, 146603}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{109733, 137751, 68734}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{793627, 725807, 1078902}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{469455, 454271, 462676}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{183416, 180573, 180063}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{51781, 40285, 47196}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{1153943, 1073690, 1114814}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{40908, 59614, 70602}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{86274, 81778, 107423}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{261019, 235936, 250764}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{140396, 130649, 149889}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{186444, 168343, 172871}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{165705, 167756, 155999}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{317036, 353272, 323907}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{504785, 455534, 462046}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{57327, 77500, 64616}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{84357, 65854, 78441}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{556944, 513722, 500126}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{32875, 26127, 27105}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{910591, 1, 1}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{648743, 624927, 541481}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{56108, 58053, 54186}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{2839516, 145430, 1}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{94217, 83640, 107737}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{878039, 867353, 1144533}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{107974, 115884, 100984}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{108671, 102052, 132254}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{541621, 494170, 509603}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{149853, 146996, 145443}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{37107, 26762, 21964}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{991740, 943933, 918425}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{1, 21702, 1}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{1, 24181, 27595}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{1, 20925, 1}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{1, 20471, 14498}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{1, 18304, 18674}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{1, 17138, 14369}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{1, 17516, 18297}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{1, 13627, 13649}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{1, 194806, 183471}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{1, 236066, 227404}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{1, 188792, 194327}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{1, 1, 371721}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{1, 43496, 52854}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{1, 1, 391599}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{1, 1, 80977}, {"1-Pyrroline-5-carboxylic \
acid [ C5 H7 N O2, db=81.81, overall=82.31, mfg=82.81, KEGG ID=, CAS \
ID=2906-39-0 ]", "2906-39-0"}}, {268.0812, 0.8973462, "Meta"} -> 
    {{1, 1, 1}, {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, \
mfg=61.56, KEGG ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, 
   {488.12, 1.2590418, "Meta"} -> {{1, 1, 101654}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{1, 43135, 1}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{1, 115719, 1}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{1, 186603, 186210}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{1, 1607806, 2884974}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{1, 1, 61320}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{1, 1, 1}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> 
    {{1, 1, 1}, {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", 
      ""}}, {214.0301, 7.354036, "Meta"} -> {{1, 1, 45278}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{1, 23086, 19022}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{1, 1, 20608}, {"3,5-Pyridinedicarboxylic \
acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ \
C18 H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS \
ID=85677-95-8 ]", "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> 
    {{1, 1, 1}, {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", 
      ""}}, {198.1256, 10.538999, "Meta"} -> {{1, 22289, 18458}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{1, 24238, 20433}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{1, 23877, 24663}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{1, 77466, 76631}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{1, 221186, 188497}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 49367, 70914}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{1, 20770, 19358}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{1, 15945, 16424}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{1, 15673, 17800}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{1, 1, 1}, {"hydroxy acid of Etoposide [ \
C29 H34 O14, db=66.35, overall=66.79, mfg=67.24, KEGG ID=, CAS ID=172138-89-5 \
]", "172138-89-5"}}, {430.2027, 12.269668, "Meta"} -> 
    {{1, 19117, 20909}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{1, 33323, 33354}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{1, 1, 14883}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 12675, 11985}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{1, 28620, 26081}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{1, 1, 1}, {"(1R,2R)-3-oxo-2-pentyl-cycl\
opentanehexanoic acid [ C16 H28 O3, db=78.87, overall=78.92, mfg=78.97, Lipid \
ID=, KEGG ID= ]", ""}}, {356.2212, 13.095407, "Meta"} -> 
    {{1, 38488, 46290}, {"methyl \
13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 O6, db=56.61, \
overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{1, 34685, 55234}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{1, 457418, 436647}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{1, 1, 45569}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{1, 113140, 114864}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{1, 111510, 117756}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{1, 1, 1}, {"18-acetoxy-PGF2alpha-11-ace\
tate [ C24 H38 O8, db=38.97, overall=39.32, mfg=39.68, Lipid ID=LMFA03010098, \
KEGG ID= ]", ""}}, {482.359, 13.575268, "Meta"} -> 
    {{1, 265759, 1}, {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{1, 108318, 99651}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{1, 1, 1}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{1, 60401, 53723}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{1, 48767, 1}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{1, 62144, 45228}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{1, 44607, 48996}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{1, 1, 22033}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{1, 22650, 13569}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{1, 189596, 200496}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{1, 54467, 52888}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{1, 12829, 1}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{1, 1, 39091}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{1, 559429, 463760}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{1, 119484, 115951}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{1, 17094, 15963}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{1, 22408, 1}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{1, 118248, 110921}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{1, 1, 143751}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{1, 733504, 704099}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{1, 39375, 21880}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{1, 133161, 109276}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1, 934389, 851317}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{1, 136359, 133080}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{1, 136843, 132878}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{1, 169171, 146707}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{1, 68042, 102093}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{1, 26319, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{1, 1, 1}, {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,\
14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 O6, db=71.00, overall=71.13, \
mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", ""}}, 
   {735.5212, 15.179166, "Meta"} -> {{1, 374129, 377309}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{1, 21497, 18387}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 53632, 1}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{1, 191658, 165935}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{1, 24856, 23365}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{1, 569793, 1}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{1, 55841, 1}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 64630, 1}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{1, 67563, 58883}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{1, 587221, 614759}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 633748, 81577}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{1, 58811, 1}, {"9-hydroxy-5Z-nonenoic \
acid [ C9 H16 O3, db=65.72, overall=66.15, mfg=66.58, Lipid ID=, KEGG ID= ]", 
      ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", 
      ""}}, {391.2936, 11.111439, "Meta"} -> 
    {{1, 1, 1}, {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", 
      ""}}, {272.1988, 12.011203, "Meta"} -> {{1, 1, 22163}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{1, 1, 22685}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{1, 63572, 66041}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{1, 32045, 29568}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{1, 36437, 20506}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{1, 243907, 242534}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{1, 45551, 44735}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{1, 32008, 16811}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{1, 1, 42220}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{1, 85124, 102400}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{1, 59140, 43613}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{1, 1, 98907}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{1, 210391, 165276}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{1, 187961, 1}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{1, 1, 1}, {"1-(9Z,12Z,15Z-octadecatrien\
oyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol [ C41 H66 O5, db=54.66, \
overall=55.04, mfg=55.43, KEGG ID=, CAS ID= ]", ""}}, 
   {924.58, 14.921433, "Meta"} -> {{1, 33007, 34834}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 31969, 37045}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{1, 11220, 1}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{1, 30116, 45769}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 111453, 1}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "16" -> <|{457.0024, 0.34764, "Meta"} -> {{1, 1, 12007}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{31791, 28727, 23773}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{18980, 15835, 11191}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{16296, 12565, 13087}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{26339, 20716, 18187}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{84054, 71534, 64209}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{47816, 40388, 38723}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{45929, 40259, 32536}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{10452, 1, 11780}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{12766, 12336, 10849}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{22818, 23932, 21302}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{15306, 15378, 14522}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{22076, 22171, 21746}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{24243, 24808, 22650}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{12469, 11175, 11339}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{1, 18092, 18322}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{1, 32231, 35966}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{52964, 53124, 52462}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{23446, 22665, 21748}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{77062, 72466, 72710}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{64632, 59910, 62111}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{52590, 44935, 45797}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{78124, 69790, 75706}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{44253, 45867, 44400}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{593000, 675278, 721166}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{23192, 21642, 23156}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{107256, 105812, 1}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{55324, 61648, 54120}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{146892, 1, 139769}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{77457, 1, 69535}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{1, 17214, 19037}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{1, 272920, 272649}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{1, 19055, 20691}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{208165, 196494, 190594}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{42849, 48027, 42859}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{407150, 360162, 358763}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{29358, 30593, 30569}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{784071, 752422, 759388}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{496854, 458781, 443875}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{893606, 840115, 829050}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{26012, 25718, 25301}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1397710, 1384096, 1374198}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1631549, 1510085, 1512920}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1138318, 1084787, 1070947}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1296383, 1249678, 1232719}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{21529, 18885, 16517}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{694832, 691008, 681093}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{69120, 65630, 63268}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3496994, 2949977, 3147983}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{48367, 44218, 44976}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{72010, 70951, 73678}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{55943, 57632, 54016}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{20503, 21550, 19513}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{74878, 68572, 73818}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{37980, 39483, 35730}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{75329, 71777, 71142}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{53862, 59473, 53889}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{18111, 15350, 15373}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{18830, 16239, 1}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{1, 11634, 1}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{1, 14510, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{211644, 190298, 191712}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{709205, 682719, 670629}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{171019, 169217, 159252}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{151339, 148499, 127733}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{68251, 105793, 1}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{37992, 34945, 1}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{63103, 61535, 48864}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{95704, 94693, 87728}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{377104, 361725, 300770}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{95828, 97125, 80780}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{359293, 349570, 322910}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{112778, 125364, 115157}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{1, 119478, 1}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{207486, 195848, 182645}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{12002, 25498, 1}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{29620, 1, 24752}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{91585, 83005, 83414}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{69870, 1, 1}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{129887, 113333, 130406}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{92505, 79761, 93175}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1468266, 219216, 1317970}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{114466, 1, 98730}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{51677, 43576, 50651}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{197199, 1, 188096}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{7462958, 7948005, 7725002}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{99785, 49983, 53666}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{141721, 172708, 140575}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{44488, 47307, 53353}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{43726, 53511, 47070}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{75428, 1, 132747}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{120949, 60435, 223884}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{130252, 1, 231606}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{307825, 152015, 575184}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{66522, 61041, 72151}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{139128, 421988, 341435}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{93829, 88530, 266286}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{1393552, 1271240, 1384447}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{1, 1, 383873}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1616786, 1707708, 1467952}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{33498, 1, 50316}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{214224, 192490, 189199}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{231085, 209264, 207035}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{599798, 590044, 484497}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{168334, 1, 102025}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{23717, 1, 40413}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{86480, 89151, 67210}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{126578, 100138, 95234}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{26627, 23496, 1}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{408516, 350094, 301560}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{20213, 18458, 1}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{175722, 1, 1}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{30011, 1, 50790}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{5568423, 7672731, 6925883}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{1, 76887, 68195}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{134287, 98175, 137776}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{390048, 374199, 541707}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{108601, 97123, 110492}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{74097, 83358, 1}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{281400, 285212, 246208}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{91865, 193602, 291055}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{23228, 31150, 35286}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{1826907, 1767623, 1763005}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{80692, 73260, 68198}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{138053, 1, 96634}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{428073, 451992, 453636}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{25151, 35217, 36723}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{81440, 71749, 71122}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{110590, 106991, 87535}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{91474, 130632, 118559}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{31699, 43574, 32292}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{16682, 18707, 17090}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{95908, 91947, 79279}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.25*^7, 1.15*^7, 1.05*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{21871, 1, 24379}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{448630, 539292, 544173}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{789404, 680572, 623921}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{44213, 39294, 27980}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{105288, 85463, 72638}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{23869, 29758, 21542}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{789660, 686445, 597362}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{1, 73873, 1}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{20146, 24724, 19333}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{17520, 23053, 15663}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{21976, 27080, 18553}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{20051, 26260, 18097}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{13832, 17170, 11561}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{85742, 69799, 51100}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{46780, 40282, 29904}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{86580, 46583, 31984}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{24162, 1, 19849}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{160239, 119726, 159262}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{22695, 19794, 1}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{259899, 163269, 113908}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{88546, 56521, 57947}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{1, 247001, 272936}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{1, 156188, 163930}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{202679, 131738, 145520}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{106918, 94677, 1}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{368115, 365089, 367762}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{88992, 65035, 82054}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{209618, 174584, 187737}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{43693, 1, 43764}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{286270, 1, 1}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{62331, 38959, 45291}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{342183, 347360, 326494}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{287326, 209098, 233629}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{4595932, 4813191, 4562530}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{106251, 84782, 80699}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{78675, 82735, 73870}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{45274, 38563, 1}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1, 1967499, 1922489}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{1, 116722, 122925}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{50678, 46132, 1}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{1, 1, 65515}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.24*^7, 1.17*^7, 1.05*^7}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", 
      ""}}, {430.1619, 1.2902309, "Meta"} -> {{1, 903941, 906956}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{2079759, 1836777, 1843135}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{97872, 93709, 92019}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{153297, 155329, 139440}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{136545, 120685, 122353}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{2562525, 2321868, 2314221}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{155626, 176582, 1}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{128385, 97430, 93687}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{78500, 36578, 38103}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{5108425, 4120090, 3788747}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{229309, 174613, 178840}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{137324, 195211, 195557}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{127763, 101355, 92128}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{86097, 70495, 73887}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{443760, 325149, 373668}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{115850, 52360, 1}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{5.76*^7, 5.08*^7, 5.18*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1374585, 1213378, 1213647}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1, 1441941, 1484932}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{114049, 126906, 125183}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{87120, 80676, 87149}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{1, 68037, 68606}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{83242, 63247, 72706}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{63914, 53618, 57578}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1069643, 925561, 953145}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{517398, 332822, 170622}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{106404, 88501, 86916}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{62291, 54949, 66092}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{53041, 44453, 51495}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{56127, 51298, 45295}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{97139, 86909, 92254}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{30975, 26549, 29652}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{651012, 551104, 565847}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{32756, 62865, 107397}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{552419, 426111, 330028}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{131006, 81206, 66814}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{83187, 68124, 52325}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{1, 1, 1}, {"a-Methyl-3,4-dihydroxyphenylp\
ropionic acid [ C10 H12 O4, db=96.43, overall=96.70, mfg=96.97, KEGG ID=, CAS \
ID=53832-94-3 ]", "53832-94-3"}}, {351.1583, 5.5754156, "Meta"} -> 
    {{64958, 56947, 50829}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{24604, 24323, 23751}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1752543, 1551832, 1598867}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{38854, 29637, 32695}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{178734, 165435, 184347}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{47282, 42987, 45969}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{27383, 24018, 22909}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{1, 1, 62549}, {"Isoquinoline N-oxide [ \
C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, KEGG ID=, CAS ID=1532-72-5 ]", 
      "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{269378, 272092, 107732}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{17219, 11993, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{30833, 28026, 29224}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{61066, 48633, 1}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{90071, 82476, 80570}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{50230, 49500, 49508}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{287888, 260973, 256248}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{504883, 456232, 452335}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{96014, 88988, 90638}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{127983, 116770, 120419}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{128236, 108985, 117406}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{44576, 41721, 39442}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{241565, 220448, 210938}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{76872, 64829, 66019}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{19684, 55220, 34647}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{41614, 39945, 40480}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{395008, 321009, 312324}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{34936, 28645, 1}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{2846301, 2510428, 2551150}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{92619, 77134, 74588}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{292681, 272040, 269186}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{1, 33395, 1}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{217549, 270653, 423289}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{23366, 28149, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{131300, 129023, 224286}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{19123, 30127, 63255}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{81426, 92661, 103499}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{56678, 61598, 83246}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.05*^7, 1.16*^7, 1.64*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{33002, 35179, 27327}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{60234, 81831, 124206}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{32775, 35401, 47290}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{838760, 725017, 764592}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{30196, 25632, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{26704, 19172, 16827}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{38986, 35690, 27497}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{17191, 18964, 17769}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{1, 23071, 25312}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{46348, 39646, 40234}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{111162, 96177, 100440}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{15387, 12942, 13175}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{266635, 252139, 273894}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{28852, 1, 27820}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{16575, 1, 15006}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{230154, 217939, 221000}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{143181, 112887, 157513}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{191667, 186684, 189054}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{89136, 81071, 84509}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{36511, 25486, 22806}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{423625, 381408, 399014}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{30662, 27921, 28739}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{17911, 1, 28131}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{94285, 79749, 84326}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{492411, 419827, 432621}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{414672, 371467, 389181}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{24771, 17429, 20460}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{1, 1, 19334}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{40278, 34899, 39366}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{22658, 1, 29869}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{719841, 650003, 638018}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{40176, 36379, 37999}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{42305, 36424, 34090}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{209663, 184880, 196445}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{69389, 62855, 56700}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{34953, 31457, 28413}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{54771, 57174, 42582}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{199559, 56803, 309614}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{118336, 96588, 68652}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{98820, 88683, 85435}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{75126, 61150, 57993}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{3252735, 2674035, 2562997}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{62229, 61904, 53223}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{223040, 188228, 180790}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{1549448, 1285944, 1180704}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{476205, 425168, 398189}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{141160, 142330, 132453}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{16347, 15718, 1}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{70896, 60632, 61565}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{372082, 322334, 325060}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{43011, 39715, 38889}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{40359, 1, 54264}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{457932, 142657, 588844}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{66606, 20217, 81958}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{465694, 155350, 649672}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{43574, 13767, 58417}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{52963, 45735, 48112}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{137443, 145042, 154417}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{70672, 57911, 60799}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{137616, 63341, 51113}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{76663, 64399, 71124}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{90698, 78330, 77114}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{47182, 42077, 45508}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{22289, 20833, 29335}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{47267, 47321, 41737}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{20755, 21351, 1}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{297763, 238841, 248386}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{1, 1, 25530}, {"9-oxo-2E-decenoic acid [ \
C10 H16 O3, db=76.22, overall=76.39, mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {181.1102, 9.214113, "Meta"} -> {{271989, 234625, 246684}, 
     {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite [ C10 H15 N \
O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, CAS ID= ]", ""}}, 
   {542.2727, 9.303111, "Meta"} -> {{90886, 72666, 79534}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{27401, 24621, 25450}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{31692, 25242, 26711}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{36558, 18022, 42719}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{34649, 24871, 25181}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 1, 29115}, {"Tuberonic acid [ C12 H18 \
O4, db=70.37, overall=70.39, mfg=70.42, Lipid ID=LMFA02020007, KEGG ID= ]", 
      ""}}, {594.3415, 9.460033, "Meta"} -> {{34625, 38374, 30880}, 
     {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, mfg=91.75, HMP \
ID=HMDB04159, KEGG ID= ]", ""}}, {630.1262, 9.475205, "Meta"} -> 
    {{110734, 106165, 96817}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{65912, 29823, 33356}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{34830, 31532, 33570}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{433040, 377248, 396903}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{61577, 51533, 57177}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{173619, 150277, 149642}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{106540, 89585, 80245}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{53321, 45202, 43423}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{27761, 1, 27817}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{23917, 21891, 23241}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{80207, 73056, 74172}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{58629, 1, 23507}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1167150, 1027911, 1055248}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{54459, 49695, 46632}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{50220, 64088, 1}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{26415, 26473, 27538}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{585923, 521080, 524086}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{44037, 40108, 32983}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{39288, 38590, 37258}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{369986, 320613, 324575}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{36791, 1, 27802}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{463180, 339995, 322880}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{39909, 30076, 27632}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{48983, 21325, 37770}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{39276, 34832, 37336}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{148868, 125329, 127848}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{1, 1, 47799}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{184186, 139494, 150992}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{79027, 56144, 58909}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{36134, 17310, 29023}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{314544, 254358, 269337}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{360744, 314692, 314472}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{27221, 25129, 29321}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{23254, 16938, 19424}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{15271, 14297, 14019}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{398648, 436579, 361384}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{73955, 64150, 75982}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{47876, 52126, 52538}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{94332, 42417, 64778}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{36227, 1, 27663}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{138342, 119554, 124375}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{9109953, 8044850, 8191659}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{27497, 27324, 28007}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{326222, 303329, 334138}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{65405, 61287, 60221}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{117294, 114529, 115975}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{327303, 311762, 315416}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{39184, 36532, 38761}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{45471, 42155, 44026}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{53434, 32376, 28579}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{33964, 31490, 30357}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{81983, 82304, 77807}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{47368, 42880, 51725}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{47130, 45429, 39920}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{64183, 59063, 57946}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{397767, 372007, 393996}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{32728, 24683, 23673}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{119736, 109547, 99285}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{58683, 51562, 50552}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{49652, 38789, 21927}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{55958, 50561, 46849}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{389257, 322246, 367218}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{116109, 106531, 109153}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{92299, 78953, 84971}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{53039, 53088, 52979}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{261299, 226496, 236752}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{18704, 17116, 1}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{135594, 108429, 113461}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{101537, 37262, 108106}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{1378821, 293682, 639191}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{255832, 68959, 128485}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{516756, 463985, 495806}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{53487, 43971, 49237}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{54568, 48334, 46727}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{26591, 45458, 39696}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> 
    {{1, 1, 1}, {"Terbinafine metabolite glucuronide [ C25 H31 N O9, \
db=84.10, overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{11862, 10233, 1}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{103083, 91587, 95460}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{34854, 35811, 33072}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{16215, 13654, 1}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{89245, 75104, 80993}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{28107, 24799, 1}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{46656, 39718, 36226}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{167031, 136956, 150129}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{15581, 16634, 1}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{18759, 16747, 17868}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{263676, 235075, 238234}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{27136, 22919, 20961}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{39347, 35061, 38238}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{15402, 12895, 14409}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{84677, 71240, 74946}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{1, 1, 1}, {"Traumatic acid [ C12 H20 \
O4, db=79.20, overall=79.73, mfg=80.26, HMP ID=HMDB00933, KEGG ID= ]", ""}}, 
   {168.1149, 10.536375, "Meta"} -> {{28536, 12858, 28838}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, overall=61.76, mfg=61.73, \
Lipid ID=, KEGG ID= ]", ""}}, {184.1463, 10.539221, "Meta"} -> 
    {{75096, 63691, 62068}, {"3E-undecenoic acid [ C11 H20 O2, db=87.41, \
overall=87.42, mfg=87.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {190.1026, 10.573134, "Meta"} -> {{36812, 36707, 30056}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{31781, 26968, 29560}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1013940, 861410, 868065}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{36422, 26275, 49037}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{70520, 61911, 65872}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{157049, 169200, 160428}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{20900, 28851, 19122}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{28078, 27333, 26076}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{694057, 612743, 644727}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{316495, 531351, 122690}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{32162, 25178, 1}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{318876, 279745, 288580}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{26422, 20127, 22964}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{134088, 113065, 106432}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{114234, 103888, 111835}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{42848, 41070, 40936}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{155732, 138013, 136720}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{92724, 86736, 93371}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{241977, 191546, 381214}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{10595, 1, 14444}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{26667, 1, 15472}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{1, 1, 14930}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{235539, 153180, 145591}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{114866, 98081, 102506}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{196719, 182127, 163204}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{489425, 414579, 407011}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{13141, 26938, 16483}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{130784, 105185, 110329}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{78206, 91389, 76553}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{25790, 33080, 29373}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{78851, 84403, 72595}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{16368, 1, 1}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=79.09, \
overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{39189, 39436, 39452}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{92879, 85552, 75251}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{23589, 18602, 24565}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{65091, 42896, 43110}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> 
    {{1, 1, 1}, {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{17784, 1, 1}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{38219, 32493, 31760}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{350486, 292982, 318044}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{19122, 14073, 1}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, \
db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{120804, 110359, 106138}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{498233, 574998, 506549}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{22532, 24363, 25092}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{1, 1, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{133903, 101182, 100788}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{21047, 16306, 15227}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{18506, 1, 1}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{74937, 75133, 50939}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{64923, 55234, 54234}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{133954, 128417, 125726}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{28870, 23750, 24052}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{38991, 32894, 31692}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{1, 15048, 14917}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{29078, 41035, 36912}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1272779, 2000477, 1712121}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{13733, 18875, 17511}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{54713, 48740, 51178}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{27545, 20189, 19858}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{600686, 494243, 520836}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{62538, 52063, 56776}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{71483, 63211, 61759}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{40160, 15047, 44033}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{28178, 29642, 27004}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{263413, 234017, 252149}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{45692, 35498, 36839}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{57282, 55688, 50883}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{1, 27007, 19015}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{15180, 12174, 13340}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{101049, 83924, 97433}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{94541, 92835, 98077}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{3770761, 3273606, 3309177}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{45145, 32075, 41175}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{24359, 23610, 23860}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{1, 8351, 1}, {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", 
      ""}}, {1189.1321, 11.39939, "Meta"} -> {{33652, 29500, 28569}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{74696, 75029, 68334}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{265666, 234341, 233035}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{36937, 37551, 39149}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{57945, 1, 56402}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{26350, 23048, 1}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{61907, 59923, 57059}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{127019, 100848, 115403}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{36426, 34280, 29360}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{56984, 61533, 55875}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{170372, 146048, 148279}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{48109, 46781, 39256}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{78018, 64187, 57354}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{64025, 63037, 61066}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{34052, 30227, 29141}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{548052, 459252, 478943}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{33405, 31450, 31340}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{56828, 53305, 48122}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{1, 1, 21238}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 \
H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", ""}}, 
   {654.2299, 11.549442, "Meta"} -> {{76778, 38913, 111575}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{645276, 281967, 760922}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{52969, 49440, 48048}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{153171, 118588, 124950}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{158529, 122353, 139414}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{38958, 44586, 28942}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{24627, 20168, 20592}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{196947, 154709, 153012}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{31073, 27578, 22710}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{72127, 69502, 67357}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{13872, 13220, 1}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{255183, 211072, 221800}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{77914, 81669, 86881}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{25491, 20906, 18214}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{102305, 92845, 86318}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{61236, 51228, 53397}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1555369, 1345300, 1342506}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{27035, 21197, 20968}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{18389, 1, 15472}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{70417, 60573, 55610}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{84035, 69803, 70047}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{16356, 19981, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{156781, 124297, 72093}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{248178, 211062, 206624}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{42743, 38190, 43926}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{54938, 1, 52318}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1369097, 1232829, 1268877}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{87628, 58755, 82326}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{49550, 44532, 43504}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{654096, 564229, 570862}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{62531, 64817, 49702}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{1, 16477, 1}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{266032, 231883, 226749}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{36844, 39748, 40131}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{16846, 1, 16533}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{58778, 65662, 67795}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{112038, 103537, 93599}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1590152, 1552876, 1504519}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{100831, 91300, 57778}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{43842, 36544, 33441}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{72350, 67570, 68047}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{1, 31786, 35370}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{59768, 64020, 50696}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{119189, 1, 137113}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{75334, 61732, 63153}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{1, 15506, 1}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{27853, 24087, 25900}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{374421, 330604, 371879}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 75418, 76090}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{1, 98835, 22035}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{189410, 168239, 174495}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{25548, 18651, 19383}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{74430, 70120, 69474}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{16499, 16091, 19986}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{141047, 72102, 137737}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{23422, 29324, 35509}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{377703, 335227, 333755}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{29286, 26561, 25594}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{52376, 49381, 49713}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{337820, 354739, 343335}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{38393, 34433, 28580}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{26095, 27821, 21567}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{102440, 94481, 89465}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{216401, 214140, 183733}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{28574, 23306, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ \
C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{126866, 119386, 115791}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{20362, 1, 17577}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{64653, 15489, 32754}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{123335, 102701, 107718}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{19477, 17384, 15500}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{307447, 296948, 285422}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.51*^7, 1, 2.26*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{318719, 296606, 300696}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{656359, 646535, 639445}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{68967, 65838, 66552}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{134084, 110972, 108824}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{36482, 23869, 22541}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{41035, 36295, 36831}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{19967, 20277, 21364}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{19868, 1, 19036}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{87922, 91105, 84597}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{37283, 1, 36565}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{31933, 24511, 26119}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{73775, 61989, 76897}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{41636, 39923, 38558}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{25763, 31685, 32504}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{260207, 235358, 234877}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{35469, 53347, 54536}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{1, 19658, 1}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{25934, 22003, 29212}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{46286, 48466, 1}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{77424, 69912, 83632}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{29582, 30775, 29473}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{575305, 587794, 525691}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{26243, 24750, 23114}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{61204, 65145, 61999}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{37973, 26547, 13410}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{259937, 264473, 240873}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{63392, 60302, 62697}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{92843, 80036, 78551}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{32291, 36417, 35093}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{23469, 24458, 1}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{22066, 19738, 21051}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{51280, 43665, 41327}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{81096, 1, 1}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{603852, 608930, 551654}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{73692, 73818, 67514}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{13811, 12774, 1}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{143711, 147055, 138942}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{111760, 100451, 99403}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{68898, 1, 72013}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{56837, 55204, 54013}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{28512, 31306, 27350}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{92051, 101569, 89877}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{30193, 27278, 29074}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2326169, 2258411, 2158453}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{24660, 20874, 20808}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{16743, 26009, 20372}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{22741, 20645, 19014}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{179648, 179964, 155868}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{211316, 225392, 220864}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{1208712, 1122206, 1079600}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{38963, 31549, 36851}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{100529, 99100, 96699}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{72491, 65898, 62207}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{1, 1, 1}, {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{121451, 108245, 101503}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{199239, 172660, 169441}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{50676, 1, 43879}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{80181, 140957, 68482}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{34246, 34490, 29697}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{19019, 19758, 15430}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{427784, 393648, 374857}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{85832, 72066, 69816}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{1, 42835, 38873}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{49531, 43940, 41784}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{53771, 42124, 40185}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{32659, 1, 32588}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{1, 43347, 42328}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{78629, 63593, 64915}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{45985, 35428, 42282}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{11892, 42834, 1}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{45909, 46163, 37021}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{100137, 90192, 86760}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{1, 258896, 262832}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{755707, 708065, 667039}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{1, 28915, 25166}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{41262, 20257, 21371}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{30653, 35128, 31987}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{73934, 82160, 76192}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{326472, 301733, 287401}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{20057, 19795, 1}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{12988, 16287, 25505}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{415234, 361928, 330081}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{30522, 1, 19423}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{91846, 80531, 74711}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{105130, 97617, 102257}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{130599, 126469, 109728}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{81660, 69160, 67978}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{9402898, 8091273, 7476030}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{288809, 276451, 252337}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{19473, 18307, 18639}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{62729, 66952, 53524}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{43623, 33709, 30925}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{123915, 76812, 73288}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{90260, 79212, 1}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{5333973, 4567466, 4428010}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{38343, 39018, 38660}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{72179, 60948, 58142}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{121569, 1, 1}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{67279, 58685, 57376}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{35545, 35724, 39288}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{37680, 36121, 39470}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{199071, 176247, 210916}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{32564, 26977, 28559}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{136886, 125036, 57193}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{69837, 60564, 61947}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{384019, 331782, 325306}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{18444, 18296, 14670}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{52973, 38953, 35906}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{151893, 127708, 109366}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{581355, 516263, 486004}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{64506, 55475, 54685}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{16611, 16868, 13488}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{162981, 136233, 137854}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{57781, 51767, 52316}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{1, 1, 14530}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{40627, 28408, 33151}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{541918, 348952, 444544}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{25433, 16414, 21846}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{1, 42037, 1}, {"8E-Heptadecenedioic acid [ C17 H30 O4, db=63.35, \
overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{14654, 34673, 1}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{132611, 143487, 138309}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{95768, 82437, 89642}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{75202, 63250, 66756}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{5311994, 4525471, 4414174}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{42767, 34682, 38244}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{80411, 67156, 52711}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{36988, 30997, 41805}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{207476, 200307, 195624}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{31893, 26580, 28594}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{41609, 23509, 43845}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{31962, 27766, 23973}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{38229, 36049, 27593}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{43003, 45152, 46185}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{156321, 126969, 113018}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{155534, 137446, 139661}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{123024, 107406, 113116}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{139298, 106828, 122990}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{55062, 49484, 52435}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{549022, 462410, 460325}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{82341, 68976, 79325}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{46005, 38094, 36849}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{118173, 93444, 93772}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{39356, 35157, 33278}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{197758, 203672, 167730}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{352742, 419815, 383079}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{110734, 101413, 50902}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1391039, 1182509, 554462}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{172217, 145826, 157479}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{31070, 40282, 26854}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{281373, 247608, 251656}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{93025, 85374, 115812}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{98731, 69575, 38658}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{1, 282647, 49321}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{22573, 73325, 71882}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{310579, 228833, 164876}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{23471, 17739, 19056}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{227721, 258335, 237108}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{305468, 225128, 133611}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{53348, 54338, 47848}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{178112, 141189, 136944}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{18717, 20303, 21643}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{37017, 37006, 37133}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{340881, 302246, 290384}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{508667, 451224, 462902}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{469595, 395691, 410605}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{248082, 172213, 175983}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{434158, 387170, 394742}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{129817, 109611, 104352}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{291038, 257353, 263883}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{66374, 56332, 59415}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{236609, 170401, 78635}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{175285, 176811, 171633}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{30560, 1, 24208}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{38459, 38460, 35695}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{20651, 21996, 22904}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{83235, 74616, 83358}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{661395, 574144, 572757}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{23730, 24688, 18406}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{287624, 286976, 260338}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{33363, 28282, 30369}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{49372, 38729, 41308}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{728228, 500924, 288207}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{107721, 88115, 57557}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{52410, 49399, 49060}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{1648611, 1105114, 645541}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{344391, 305531, 303847}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{41260, 35032, 35161}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{94259, 96212, 53956}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{55063, 42159, 46523}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{52123, 59739, 35887}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{255943, 209748, 224474}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{92446, 73482, 42467}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{38495, 26627, 35931}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{517545, 457066, 495822}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{63829, 69098, 65290}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{343264, 310081, 238150}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{27660, 28091, 22507}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{3397289, 3407309, 2863000}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{491676, 476522, 390905}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{18356, 20974, 15081}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{33711, 33580, 28355}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{50923, 51757, 54783}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{93365, 81646, 39529}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{126331, 149741, 105364}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{125823, 86418, 72525}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{1, 84194, 57066}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{2091703, 1626281, 932810}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{86499, 88693, 77011}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{66128, 34240, 38330}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{1, 168106, 194787}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{492576, 363209, 233088}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{24904, 27031, 20981}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{128150, 106305, 68658}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{246348, 221583, 215554}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.14*^7, 1.86*^7, 1.89*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{189192, 160877, 157775}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{706715, 697160, 695926}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{55432, 53381, 67990}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{153072, 157917, 186325}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{27637, 21604, 26724}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{70039, 51230, 63074}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{20337, 28103, 32239}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{1, 48160, 55659}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{118723, 89176, 107461}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{50144, 39413, 41930}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{59566, 52573, 54642}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{32779, 34952, 31701}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{52146, 50156, 46240}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{15346, 15688, 14669}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{1, 14181, 21396}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{997736, 890959, 695643}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{160428, 151604, 155273}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{24631, 21303, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{64183, 53092, 12548}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{33939, 37191, 30435}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{100117, 56542, 34013}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{134988, 95934, 38346}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{39664, 50358, 53759}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{31371, 29168, 29086}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{654335, 650440, 668370}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{18951, 21299, 23254}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{115150, 26032, 66535}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{46036, 1, 42792}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{1, 91806, 84766}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{446497, 362434, 366605}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{112018, 80470, 49425}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{267382, 230706, 265215}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{414032, 351826, 314558}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{2279841, 1975010, 2097789}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{217183, 187385, 204004}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{322882, 272036, 276519}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{3588256, 2925025, 2607214}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{35761, 29521, 30129}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3674902, 2872206, 2545325}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{29914, 26975, 28185}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{25094, 23801, 22184}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{78354, 66573, 56422}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{163168, 129496, 146953}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{39819, 43129, 43095}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{693754, 725880, 682300}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{187260, 183295, 162950}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{66824, 77517, 65800}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{1, 17444, 29021}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{148542, 108375, 82312}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1329121, 1117540, 954603}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{1, 19028, 22403}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{164731, 150101, 160880}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{536952, 329836, 292992}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{451892, 406823, 329154}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{92494, 81144, 83451}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{91182, 101195, 74077}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{80427, 62064, 48135}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1969385, 1504866, 1454481}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{92983, 91764, 111616}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{81374, 74967, 89559}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{1, 1, 51728}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{294213, 191402, 161008}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{73265, 66547, 72510}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{11616, 22416, 24426}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{78094, 74905, 67570}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{53496, 65184, 68842}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{448866, 468887, 503972}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{357099, 311706, 235725}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{25491, 29650, 27482}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{21512, 36603, 27653}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{66433, 59678, 67500}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{376908, 322685, 298398}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{213909, 229161, 149562}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{42601, 38654, 42178}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{61908, 47961, 52824}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{56118, 87351, 36777}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{145656, 140676, 148618}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{19240, 23929, 28708}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{298316, 274334, 181314}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{118602, 105774, 71200}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{407917, 435787, 308624}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{3879186, 3428877, 1848694}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{73482, 60116, 60615}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{81556, 73600, 58637}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{151307, 142854, 96203}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{3489536, 2691674, 1726386}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2184648, 2141080, 2144802}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{84742, 72888, 82373}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{85414, 90039, 111802}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1510488, 1267579, 566526}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{68268, 27226, 49755}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{9323895, 7993781, 8030971}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{48204, 60434, 57403}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{1802620, 1794862, 1942648}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{170667, 245876, 248744}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{58519, 43335, 44204}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{144842, 196585, 88795}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{350780, 350733, 377346}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{97162, 85743, 97260}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{63281, 67383, 81867}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{34784, 34450, 36570}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1373479, 1227730, 1112089}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{71809, 98260, 77443}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3031125, 2134804, 2555714}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{418002, 286801, 268800}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{46984, 52193, 65487}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{22581, 20081, 24755}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{66114, 63933, 60243}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{100594, 104271, 59246}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1215657, 1399115, 1571557}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{763985, 653458, 431470}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{1, 286388, 298752}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{786389, 818920, 910491}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{298986, 295689, 316962}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{444698, 315023, 280036}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{154231, 123600, 122177}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{65071, 48847, 65381}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{3254523, 3099476, 3241529}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{294639, 269199, 263900}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{72632, 65866, 66116}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{68921, 59040, 17531}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{513953, 504901, 537269}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{896355, 794776, 797321}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{286294, 196355, 202596}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{110717, 90629, 79631}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{247374, 172828, 151187}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{64843, 95562, 107180}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{332214, 276776, 278889}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{272155, 239670, 266008}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{28477, 21197, 27552}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{1, 54445, 56353}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{63119, 75543, 87134}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{1, 64128, 1}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{44532, 41728, 46604}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{60561, 45078, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{58684, 1, 47633}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{175531, 183715, 157759}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{27104, 24578, 19160}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{36654, 57888, 41526}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{150327, 132134, 121764}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{69989, 95310, 98682}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1065100, 1303414, 553515}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{206491, 267079, 56640}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{19702, 20471, 18330}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{92029, 51029, 59442}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{133193, 177958, 120265}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{30660, 41390, 21996}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{79696, 130437, 71631}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{12446, 16590, 18839}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{63509, 63327, 52358}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{179726, 141731, 145889}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{30807, 33067, 22513}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{99640, 104870, 86482}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{20591, 29939, 28233}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{22130, 17519, 1}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{59778, 48904, 42859}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{89244, 76263, 84550}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{40215, 39993, 35017}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{86072, 127178, 57051}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{32839, 50841, 18342}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{293875, 293574, 267625}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{14139, 22206, 28517}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{3697057, 2646363, 2444602}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{85752, 87589, 76601}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{435412, 280553, 230048}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1626218, 1611173, 1543719}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{736116, 564351, 454310}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3501643, 3698039, 3469132}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{30164, 93474, 94183}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.37*^7, 1.31*^7, 1.24*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{496636, 334350, 238430}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{29096, 19861, 22633}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{283314, 275920, 260252}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{407331, 301811, 168656}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{19206, 1, 1}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{127126, 130816, 129945}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{51776, 56961, 62113}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{191629, 104538, 125009}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{59765, 62208, 57117}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{29762, 20874, 24120}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{43554, 15548, 84345}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{1, 1, 17096}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{128910, 127950, 144704}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{118497, 99128, 98873}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{29287, 27557, 26845}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{505055, 505489, 445401}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{259044, 121791, 155418}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{24442, 17958, 18459}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{49084, 30864, 39740}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{427309, 352399, 356751}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{954525, 752437, 804041}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{164409, 120942, 62143}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{112248, 102169, 107214}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2765336, 1788529, 2448041}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{317226, 181299, 209982}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{86265, 66848, 74372}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{99414, 1, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{254849, 242877, 233756}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{311849, 281100, 287198}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{48881, 1, 43557}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{105304, 101822, 93550}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{24728, 59254, 19973}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{81267, 110409, 84117}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{606191, 660398, 513081}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{70652, 76616, 70945}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{327068, 332244, 352434}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{68800, 73802, 62186}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{43322, 70089, 64320}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{58442, 81050, 54267}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{41392, 31159, 25750}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{156745, 140264, 109120}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{216695, 277231, 179099}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{47446, 37661, 41341}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{644470, 388562, 415958}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{76720, 85222, 66151}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{200635, 221155, 206468}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{4493169, 3549202, 2479108}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{16457, 24728, 17276}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{173929, 118065, 115112}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{29958, 39685, 29262}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{120780, 164425, 109853}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{205751, 237168, 208827}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{71148, 69170, 60058}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{25602, 27051, 18511}, 
     {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{114707, 132890, 120598}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{100777, 107669, 100981}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{53402, 50991, 57891}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{147156, 164384, 135331}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{59350, 35278, 43760}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{267130, 494060, 427788}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{517625, 417011, 411494}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{43064, 1, 30517}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{113039, 108503, 85612}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{224401, 158824, 170284}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{205999, 197091, 170266}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{40823, 37532, 31195}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{2936038, 2453989, 2408951}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.15*^7, 9655715, 9663257}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{81469, 86051, 81373}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{36131, 51165, 46504}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{75263, 89546, 87564}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{138517, 119059, 128328}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{44819, 40759, 38575}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{56798, 49781, 45221}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1935390, 895670, 2358449}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{86207, 62130, 121861}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{203593, 125970, 271007}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{80282, 1, 88399}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{241556, 270654, 238884}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{95295, 83927, 43168}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{286505, 179369, 185158}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{36197, 44965, 35390}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{675948, 604173, 565606}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{357950, 187328, 220041}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{226956, 291314, 124607}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{239826, 221175, 190725}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{155337, 123616, 102854}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{175720, 148363, 146803}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{740434, 690299, 604760}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{48845, 48362, 45060}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{44669, 48817, 34428}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{1, 104621, 102774}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{48694, 61833, 52192}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.5*^7, 1.38*^7, 1.36*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{68068, 72252, 53312}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1965526, 1862734, 1818274}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{25682, 1, 27527}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{22706, 32121, 22929}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{97741, 111001, 89240}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1640722, 1628548, 1552482}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{36759, 61999, 23490}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{50556, 48493, 44281}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{112588, 94628, 97477}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{42153, 57239, 50342}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{92395, 79585, 106045}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{61967, 54271, 42472}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{112480, 99568, 85246}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{147225, 105152, 135690}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{92314, 104787, 85536}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{64658, 36708, 41591}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{40852, 27685, 26525}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{39737, 23572, 48669}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1996666, 1463647, 1707002}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{84361, 51643, 109737}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{211497, 171714, 189921}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{76961, 8874, 80273}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{1, 1, 1}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=75.81, \
overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{137102, 118349, 106240}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{85205, 106002, 55559}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{66649, 32018, 65144}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{254569, 146958, 282125}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{66913, 52891, 75381}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{54055, 56275, 46528}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{296080, 280996, 258211}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{81550, 25404, 1}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{488041, 282443, 569281}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{32504, 14884, 65987}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{929421, 604698, 1252527}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{34493, 23202, 26953}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{35237, 18703, 44906}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{403516, 340680, 296482}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{22601, 22373, 34503}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{38074, 16663, 42297}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{181228, 55519, 104223}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{128686, 72587, 75127}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{581593, 424911, 448654}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{83632, 44014, 50009}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{78177, 39007, 43081}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{320489, 287814, 293999}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{298105, 152568, 175940}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1838095, 1631547, 1477777}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{107557, 85692, 78351}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{45256, 31356, 38578}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{60794, 71401, 53789}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{28816, 24659, 22656}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{91225, 85765, 96039}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{2882313, 1598966, 1860304}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{348878, 287916, 266569}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{191502, 73517, 72290}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{39998, 43633, 88114}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{226483, 127753, 163349}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{663631, 218884, 333262}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{1, 27739, 27812}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{1, 1, 12305}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{33123, 18616, 47553}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{249223, 134097, 141928}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{47090, 36624, 33857}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{34418, 28043, 29358}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{183004, 150864, 168257}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{99485, 61019, 42024}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{56976, 34254, 61865}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{49888, 27631, 59811}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1108425, 576422, 666430}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{34914, 24281, 30258}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{128370, 136358, 90102}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{4006671, 2823015, 4024336}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{1, 13829, 1}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{1, 1, 20324}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{484967, 373757, 492409}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1103845, 518894, 1654144}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{33198, 30155, 30549}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{53016, 39119, 37597}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{40864, 27715, 17914}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{62631, 53239, 54340}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{89442, 91924, 88544}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.33*^7, 1.16*^7, 1.16*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{1559421, 502534, 538825}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{20591, 35785, 36897}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1401936, 1358888, 1358830}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{101405, 104166, 98348}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{100600, 72915, 47354}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{1, 44758, 44686}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{54041, 54730, 56919}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{69540, 32081, 117391}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1203906, 815197, 1539589}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{411048, 1, 366770}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{212671, 98180, 55539}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{143476, 173537, 145683}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{17734, 20184, 20378}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{77386, 68931, 60961}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{643646, 437218, 466686}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{30860, 24653, 21299}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{51756, 38860, 48534}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{665909, 455570, 553986}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{16558, 39724, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{745408, 643564, 446946}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{106270, 64947, 41680}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{30232, 25295, 22551}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{89645, 66899, 43424}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{68044, 41821, 29867}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{47491, 1, 42985}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{44847, 52583, 20706}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{1822555, 2624138, 1087235}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{352002, 501779, 231352}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{179027, 259768, 67093}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{201833, 246594, 126069}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{35526, 98610, 50642}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{127810, 204228, 86081}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{58668, 58382, 48895}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2142843, 2710701, 1166938}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{48329, 27891, 41324}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{48847, 35137, 21672}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{26151, 18142, 1}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{1, 109393, 1}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{220205, 158732, 245042}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{27670, 18028, 33489}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{30318, 40406, 11831}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{218244, 158987, 138782}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{83458, 77668, 56658}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{68789, 52127, 61863}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{2.16*^7, 1.79*^7, 1.92*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{77592, 58334, 66381}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{69102, 91143, 114260}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{118185, 113538, 103573}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{115205, 101054, 105695}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{27251, 22867, 22110}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{250114, 213957, 236640}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{29329, 26426, 30864}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{64524, 63295, 55427}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1767864, 1493429, 1612185}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{159896, 90997, 210824}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{19024, 1, 33060}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{116274, 138413, 116544}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1920899, 1652666, 1906566}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{1, 139684, 153510}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{204878, 140904, 179053}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{60195, 33970, 34721}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{71274, 74801, 69246}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{30735, 28215, 44581}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{339550, 257513, 226040}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{50308, 26477, 33783}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{35409, 30610, 28914}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{35257, 31693, 29007}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{63622, 58413, 48808}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{1252496, 1044231, 1113474}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{25663, 21249, 16542}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{219509, 76898, 175147}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{194227, 169586, 182246}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{62049, 66479, 67985}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{85608, 87502, 75382}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{21204, 17900, 14549}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{304726, 205431, 202817}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1841591, 1538331, 1484540}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{19490, 47426, 28098}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{41764, 32892, 40692}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{41178, 1, 62169}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{1, 63519, 70700}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{65736, 31149, 85699}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{2008125, 1841186, 1405942}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{35554, 23871, 35130}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{24120, 18839, 24921}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{586917, 482764, 451727}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{67032, 65699, 75017}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{113722, 37448, 82281}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{94540, 54137, 53172}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{88183, 94035, 94221}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{25564, 40675, 22213}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{5777882, 4226097, 4612178}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{238277, 355134, 320974}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{52707, 66272, 52115}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{29235, 19528, 36701}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{42876, 1, 55725}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{153033, 100711, 209275}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{45675, 48241, 23035}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{206982, 283741, 174031}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{386343, 248146, 612541}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{64074, 64814, 31005}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{92541, 119161, 71205}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{53539, 28414, 1}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{20705, 30216, 13254}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{448133, 580364, 419261}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{20554, 29260, 17478}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{61095, 107499, 30750}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{680212, 984940, 306314}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{22263, 32152, 65189}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{45002, 51006, 22976}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1138791, 1476768, 959572}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{113090, 142001, 132241}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{6852679, 9483045, 3729242}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1180702, 1675757, 930471}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{121997, 53908, 173890}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{33720, 36608, 13887}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{160274, 231832, 105229}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{30947, 21349, 27920}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{112014, 358702, 50752}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{92929, 126628, 88664}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{30967, 18900, 26423}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{129436, 161603, 149625}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{199267, 153816, 155917}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{104535, 79997, 82895}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{2066780, 2083072, 1386198}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{41270, 28110, 20401}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{60192, 29673, 28646}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{56473, 73112, 50560}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{2220210, 1976843, 2001443}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{123935, 110918, 97176}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{136784, 93407, 92429}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{125524, 113496, 118350}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{19580, 26132, 19420}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{81344, 59753, 86197}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{33923, 29863, 24059}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{34200, 18736, 23188}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{215266, 103957, 150751}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{744348, 440797, 569533}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{228735, 194243, 275352}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{35483, 44248, 36186}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{31870, 34354, 32801}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1526326, 1326403, 1329438}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{5207672, 5068734, 4542218}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{135587, 50053, 105572}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{102496, 105040, 72284}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{882471, 1230614, 1342826}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{105857, 70960, 74507}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{262631, 373463, 394959}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{115386, 125801, 161202}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{111028, 92140, 105826}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{39062, 39881, 51258}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{33009, 25956, 27236}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{41201, 33713, 38905}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{112011, 101446, 79749}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{548948, 415969, 510865}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.73*^7, 2.26*^7, 2.59*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{299081, 273982, 309889}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{44195, 27668, 24863}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{899378, 792112, 924328}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{8132132, 6514343, 7450846}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{38443, 35832, 41373}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{109519, 96755, 113635}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{9048, 9616, 1}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{341715, 355458, 364769}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{78952, 84141, 83805}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{329281, 289424, 300056}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{108937, 101149, 112727}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{31679, 20559, 25016}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{114906, 108605, 55563}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{37106, 45393, 53965}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{28067, 12706, 14639}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{82166, 97411, 102770}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{61778, 26879, 34284}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{289414, 152228, 194298}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{124659, 96668, 132991}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{682064, 625261, 630595}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2093633, 1946617, 1957923}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{2704484, 1171582, 1581152}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{214977, 195257, 191736}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{150413, 38622, 58847}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{142853, 157603, 153454}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{25998, 18964, 16403}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{35436, 30680, 26032}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{3353484, 1947095, 2221525}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{78733, 59160, 57413}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{176289, 172358, 1}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{147559, 95478, 146139}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1887763, 1253177, 1743922}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{75499, 77976, 103050}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{561796, 417834, 487062}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{1, 60893, 59233}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{65945, 84701, 73253}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{154425, 151832, 136855}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{29070, 40281, 46687}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{52512, 55813, 62197}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{215000, 18831, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1828249, 1549330, 1600246}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{117603, 125096, 103987}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{207399, 191914, 277576}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{389851, 324815, 348790}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{2632664, 1, 2531092}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{214619, 208125, 249334}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{29616, 17682, 21266}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{130752, 109368, 110936}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{344073, 259195, 256542}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{67780, 64630, 55561}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{219961, 234008, 218106}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{61225, 83721, 155379}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{50718, 65384, 27774}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{3359134, 2939828, 2869380}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{963179, 953232, 537449}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{37020, 32473, 25351}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{42473, 49932, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{22918, 35061, 20836}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2195571, 2318991, 2304705}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{698241, 624856, 387551}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{1, 69359, 29087}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{19718, 28634, 15031}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{26478, 38245, 23206}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{205349, 309367, 131124}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{63327, 1, 36265}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{38813, 53401, 20096}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{48388, 82307, 29693}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{34020, 46376, 29673}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{302725, 292220, 294942}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{215533, 226379, 236313}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{1, 116301, 9668}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 32920, 29081}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{106397, 131491, 57639}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{22504, 30641, 1}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{20000, 27791, 14382}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{339654, 271681, 1}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{39981, 1, 77367}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{51383, 35114, 41175}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{297930, 266449, 269602}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{161317, 140018, 128600}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{60434, 32176, 52074}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{39566, 69571, 61496}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 42198, 41033}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{87759, 84904, 65177}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{226029, 131310, 275004}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{49357, 38762, 35355}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1971400, 965739, 2205780}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{78800, 68928, 54308}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{278704, 196845, 246576}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{57416, 53748, 45658}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{167854, 145398, 133684}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{34224, 10916, 23061}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{508656, 475519, 440984}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{96065, 64557, 117671}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{39147, 32120, 29069}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{34829, 37605, 50293}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{23769, 23035, 1}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{176758, 158675, 161020}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{112706, 91226, 79867}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{220152, 279465, 196527}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{237107, 322003, 139912}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{820817, 1225077, 590267}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{124981, 88824, 88056}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{152551, 263744, 164574}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{111973, 84958, 111576}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{649266, 645476, 670651}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{186403, 201286, 61128}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{904444, 1070885, 491273}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{2641263, 1774530, 2373149}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{667211, 598254, 540485}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{107394, 68789, 78279}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{90699, 154334, 85371}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{677033, 532303, 538995}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{32381, 38231, 17558}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{355714, 249021, 277680}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{45912, 46414, 44873}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{39073, 30860, 25825}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{204354, 183104, 188300}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{65003, 42731, 45551}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{33611, 20524, 13594}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{79533, 88140, 71463}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{569188, 544085, 591045}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{6.29*^7, 5.16*^7, 5.36*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{66023, 86852, 69168}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{85972, 84188, 80508}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{72397, 59860, 51517}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{19612, 15971, 19148}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{103860, 64677, 56447}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{57239, 43639, 30808}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{207955, 185358, 185608}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{45339, 37609, 37651}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{28608, 50479, 40640}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{35529, 47394, 45397}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{68396, 63771, 74769}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{110705, 102292, 98742}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{267685, 297639, 248281}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{64299, 92384, 86226}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3589079, 3223598, 3274267}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{1, 23322, 21526}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{84102, 134579, 117325}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{37248, 21745, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{1, 1, 25098}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{46649, 81305, 1}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{16150, 14479, 18967}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{40568, 1, 39533}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", 
      ""}}, {396.3237, 13.99129, "Meta"} -> {{1, 39951, 61520}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{136318, 87036, 131196}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{118728, 59260, 111513}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{226592, 104394, 244706}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{85425, 46921, 73139}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{19540, 12229, 41896}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{78640, 57613, 86726}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{55393, 55223, 43916}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{5801679, 4011932, 6141762}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{21957, 14998, 15858}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{984063, 958138, 986542}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{130882, 77440, 150251}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{565727, 221644, 434930}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{162825, 135788, 135723}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{203437, 207383, 274988}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{21668, 43222, 36490}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{59258, 33928, 55793}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{1, 27805, 40270}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1460047, 1193539, 1445399}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{83230, 71452, 88541}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{209689, 185514, 154990}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{80077, 55044, 33119}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{1, 1, 41621}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{461536, 467927, 474806}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{39782, 43987, 36385}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{96960, 82306, 85803}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{109784, 113379, 119272}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{73811, 56864, 54690}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{248653, 273355, 164810}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{86917, 79679, 84629}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{44327, 32183, 38624}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{700571, 961078, 420640}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{50435, 22567, 1}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{2045201, 993674, 647013}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{40191, 38603, 1}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{107573, 108412, 66801}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{42605, 46665, 37868}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{323776, 196799, 264419}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{289560, 298535, 333099}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{219991, 210468, 180958}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{94444, 99784, 39696}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{503826, 732747, 340260}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{396444, 422103, 268357}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{352384, 1, 284590}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{66829, 41500, 141340}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{4350800, 5017754, 2218213}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{88815, 47265, 101762}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{43185, 61521, 49556}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{669038, 541100, 549768}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1190224, 1206918, 1418506}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{350640, 313083, 317191}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{123971, 109597, 131295}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{112589, 71810, 63436}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1251979, 1061683, 1215334}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{720684, 632147, 736444}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{30976, 19884, 28473}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{47471, 28761, 20141}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{47959, 46128, 74191}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{27796, 25894, 36720}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{68147, 59069, 66025}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{171725, 154017, 171403}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{35309, 53746, 67944}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{1.03*^8, 8.39*^7, 9.53*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{81137, 54825, 53544}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{25865, 18882, 31839}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{84867, 139788, 134242}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{52740, 58126, 58356}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{19554, 22029, 27678}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{39190, 37265, 38865}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{105633, 103691, 83474}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{21707, 14980, 26499}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{1, 19369, 27298}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{130443, 134643, 121653}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{61313, 85017, 61469}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{517549, 259422, 635435}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{182099, 173369, 257637}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{21295, 22633, 43586}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{23111, 31715, 33559}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{1, 15045, 19590}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{81812, 64172, 59984}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{1, 92594, 94652}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{271635, 252583, 253768}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{3070670, 2598065, 3026528}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{997717, 841918, 845519}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{154042, 117074, 108643}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{35290, 21908, 52361}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{34349, 32162, 32360}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{450042, 474474, 403073}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{49397, 1, 49555}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{23172, 11430, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{170893, 1, 1}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{23597, 25773, 23693}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{21888, 29279, 11003}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{289793, 272940, 248510}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{20832, 23848, 21670}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{1, 16907, 1}, {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{89370, 54269, 91309}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{377807, 289928, 274898}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{1, 47649, 45562}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{1, 44092, 47530}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{85502, 49181, 99586}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{45524, 69333, 345458}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.1*^7, 1.11*^7, 8462805}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{114129, 92840, 86626}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{264047, 270816, 94340}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{336667, 237613, 270536}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1638157, 2160069, 920261}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{1.59*^7, 2.04*^7, 9335480}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{37276, 41353, 43085}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{951711, 1354089, 676188}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{112976, 187973, 101705}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{3426529, 4293423, 2445321}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{32830, 47989, 23483}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{267996, 214762, 164400}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{542207, 850604, 456945}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{8151557, 1.16*^7, 6192065}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{56846, 61385, 36360}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{111006, 94169, 77652}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{292263, 479346, 301882}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{693915, 742663, 738302}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{210111, 208892, 238149}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{100353, 87274, 73200}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{23106, 15672, 19293}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{61845, 34292, 41256}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2263236, 1791280, 2195338}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{117069, 147317, 98240}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{25462, 16004, 22194}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{163309, 189328, 124766}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{211273, 169735, 176593}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{96716, 114021, 72638}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{31280, 38333, 52843}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{114377, 160175, 128583}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{36621, 17396, 24689}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{35548, 23297, 38054}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1956876, 2159959, 1368220}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{768655, 617677, 796794}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{123561, 150476, 136663}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{85962, 93327, 75808}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{87644, 113279, 87879}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4678993, 4010250, 3938500}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{123461, 162329, 140737}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{58550, 55163, 58826}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{6102406, 4406543, 5321525}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{1, 21765, 1}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=95.01, \
overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {516.328, 14.181401, "Meta"} -> {{109497, 154910, 28493}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{21825, 23311, 20834}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{67406, 77885, 97006}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{467101, 368247, 448387}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{764026, 543213, 292903}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{25106, 20032, 15985}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{183376, 172216, 144977}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{35737, 46089, 37419}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{159635, 148483, 146093}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{31230, 44883, 29662}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{28951, 22479, 21986}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{377893, 401440, 316788}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{334365, 321467, 339180}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{121977, 95405, 211514}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{57882, 54193, 63828}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{78894, 1, 82700}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{61512, 73215, 66998}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{88682, 75867, 83164}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{161055, 155295, 81906}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{34943, 19257, 27138}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{128710, 299137, 112954}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{2866546, 2380324, 2365675}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{137215, 126079, 111547}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{58917, 44226, 48183}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{371475, 297259, 326746}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{1, 1, 27712}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{350974, 335031, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{1, 417052, 1}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ \
C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {350.282, 14.253435, "Meta"} -> {{28849, 21185, 1}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{89275, 102372, 111216}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{7385135, 5254954, 1.28*^7}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{259294, 214202, 211563}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{36108, 42026, 68055}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{30677, 12379, 96564}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{168227, 164421, 148491}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{544250, 418884, 1}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{1, 1, 73314}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{71517, 57707, 74263}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{147268, 109043, 122458}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{71664, 49241, 59297}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1721176, 1110067, 1340499}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{90132, 69499, 85992}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{576536, 321103, 362589}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{1, 1, 42029}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{33566, 25459, 23435}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{106447, 84874, 103827}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{629707, 440878, 528761}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{104715, 65266, 82536}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{87457, 106069, 80880}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{5660027, 4061770, 5087046}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{183093, 127146, 185237}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{133252, 73314, 90738}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{3384632, 2216228, 2951610}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{61694, 34618, 29425}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{69093, 264618, 285196}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{32577, 38768, 36226}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{65708, 40137, 62011}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{36620, 23399, 76111}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{542057, 518256, 379043}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{30654, 26358, 27005}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{424908, 341360, 562709}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{550955, 436581, 581865}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{7588863, 5296568, 1}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{39234, 1, 30763}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{171554, 1, 42712}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{720902, 610245, 661850}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{36083, 26766, 1}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{236054, 240776, 197671}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{45546, 25025, 1}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho\
lest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{994686, 47106, 277392}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{155931, 91656, 74257}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{2639453, 3469870, 2283061}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{51973, 29156, 26668}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{94578, 66113, 80831}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{502573, 273977, 408560}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1000749, 643116, 1060112}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{61978, 43270, 57862}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{150020, 119932, 117579}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{341732, 1, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{109135, 113471, 69489}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{27347, 30636, 26662}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{211192, 323636, 216352}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{30681, 16072, 16598}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{138561, 69057, 72921}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{35882, 26122, 29186}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{135548, 114344, 142508}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{28296, 32293, 26349}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{723499, 578428, 725986}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{27480, 34151, 23268}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{78058, 69176, 73884}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{518734, 363863, 461821}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{61299, 60291, 66594}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{4.92*^7, 4.14*^7, 4.36*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{64192, 71488, 70657}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{57061, 74812, 53697}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{112515, 130617, 119015}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{37211, 47348, 32247}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{157820, 144252, 129935}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{42512, 54737, 48658}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2362687, 2533093, 2067325}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{33513, 28364, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{1, 88340, 114521}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{309975, 304395, 248374}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{477733, 297240, 293722}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1353928, 1029972, 1250127}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{102087, 88255, 90302}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1975246, 1699587, 1904854}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{329905, 217163, 270707}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{99761, 77153, 1}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1637463, 1457314, 1396527}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{463939, 226040, 390934}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{742781, 335934, 539479}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{913660, 464073, 742632}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{32880, 1, 31185}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{86377, 16286, 1}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{559841, 312715, 1}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{97354, 40102, 55838}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{467886, 142696, 372153}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{144087, 1, 149729}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{262973, 24699, 52521}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{654523, 303855, 514811}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{1462447, 1765949, 1969086}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{794642, 789271, 793962}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{44001, 1, 1}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{4478626, 2826409, 3479778}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{44077, 19301, 1}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{100649, 22053, 441928}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{36698, 34502, 16290}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{64866, 32968, 53091}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{375834, 41038, 92161}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{95014, 1, 59411}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2142346, 1463506, 1926637}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{52351, 21244, 48823}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{15907, 1, 15268}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{261978, 182681, 206405}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{281049, 146101, 268135}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{415761, 280428, 266947}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 232695, 214599}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{3859056, 3271453, 3316874}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{54111, 47300, 44376}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{1160779, 888665, 830664}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{89446, 58471, 34803}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1, 1255599, 1518104}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{423625, 283630, 347119}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{1, 50797, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{229882, 219249, 158835}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{74504, 50684, 54893}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{185211, 233812, 131072}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{356282, 511443, 274657}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1683978, 1059829, 1817361}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{899966, 397878, 545996}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{519728, 232055, 491677}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{1, 55567, 32540}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{149724, 90006, 140076}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{98645, 87942, 88048}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{49524, 45063, 54388}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{995125, 474661, 838395}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{96390, 76280, 24196}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{643946, 348806, 513417}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{131878, 61988, 121623}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1148337, 966515, 989765}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{535778, 134214, 462234}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{1, 1, 144604}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{355772, 1, 265156}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{90645, 71060, 87828}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{33459, 35207, 32653}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{264681, 152651, 242889}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{120427, 100825, 153965}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{51578, 33839, 40323}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{2048678, 1669298, 1760185}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{315867, 250851, 276660}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{59078, 50838, 104220}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{852459, 772378, 807685}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{88188, 78494, 86033}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{116366, 109998, 82305}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{705575, 724994, 555317}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{29732, 33052, 1}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{165765, 176786, 140035}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{54639, 101799, 105229}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{236675, 219957, 183321}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{195223, 193789, 1}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{91737, 150724, 70937}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{1, 68909, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{25116, 40040, 42110}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{46966, 69109, 44524}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.32*^7, 2.85*^7, 1.84*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{270402, 1, 214439}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{60545, 1, 53657}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{129664, 94234, 137045}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{1, 90021, 36834}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{39419, 49624, 45840}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{146500, 84181, 81543}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{33552, 33246, 30984}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{26847, 29009, 24278}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{137410, 141555, 109688}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{74255, 78574, 62153}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{114965, 110542, 100819}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{58887, 98028, 62374}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1895776, 1667176, 1}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{980274, 802792, 982839}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{1, 201837, 150273}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{756921, 1, 1}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{111169, 133041, 56267}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{454293, 309111, 360047}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1806697, 1656670, 1533102}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{80828, 48142, 72115}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{59174, 62940, 48763}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{96335, 81319, 71318}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{369186, 330253, 334737}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{250353, 117180, 172752}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{236305, 174592, 191354}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{540458, 518942, 499363}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{47565, 48416, 43317}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{79421, 60718, 64163}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{26543, 25640, 28041}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{23631, 19622, 20891}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{402576, 293887, 399409}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{49555, 42744, 44667}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{93381, 67552, 76815}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{101851, 94739, 101220}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{148833, 120451, 118898}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{166346, 158861, 137059}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{55764, 50188, 48659}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{1, 1, 35920}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{42396, 39204, 34409}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.04*^7, 1.88*^7, 2.5*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{179744, 87094, 85594}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{40274, 39721, 35979}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{1, 59849, 1}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{68229, 76499, 48754}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{472970, 455672, 382787}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{424981, 312175, 356249}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{37791, 38162, 32662}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{1, 1, 141864}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1517773, 1, 1317251}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{93154, 75194, 79591}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{895726, 939472, 925249}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{695267, 644516, 616677}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{1, 86999, 76434}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{173525, 151587, 148753}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{83470, 56837, 39823}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1451865, 1291575, 1231919}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{208982, 207875, 190687}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{140322, 123312, 120041}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{1, 40884, 48140}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{217944, 228926, 1}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{101137, 77100, 84939}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{549161, 277523, 417575}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{52144, 45704, 46524}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{91206, 77944, 72634}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3401872, 3075195, 3660225}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1241512, 1060607, 1015388}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{43455, 37324, 33848}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{298144, 214703, 231362}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{316288, 270681, 264626}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{132468, 104782, 94248}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{556328, 463785, 419119}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{123501, 117976, 83962}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{61126, 46058, 55014}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{331490, 302847, 262225}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{90316, 76533, 88843}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{112668, 94136, 96039}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{208155, 171828, 129341}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{162834, 152348, 136817}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{212151, 233306, 141700}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{195905, 165220, 284352}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5be\
ta-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{20507, 1, 49807}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{185340, 70555, 173132}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{946105, 721781, 773806}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{86004, 69069, 69823}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{1042961, 876026, 726093}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{165544, 140966, 122127}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{795615, 537344, 435366}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{99613, 65661, 77343}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{41846, 49954, 46470}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{59180, 46586, 47615}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{201993, 197533, 191985}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{46106, 50793, 42474}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{225709, 220229, 189408}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{21707, 26737, 25572}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{47680, 56494, 49569}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{71552, 81444, 73942}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2156821, 2084339, 1912824}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{44702, 25948, 18556}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{618687, 487589, 433897}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{88197, 76071, 51409}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{52975, 39260, 46223}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{64688, 54485, 46112}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{113285, 84810, 76287}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{249730, 212207, 170732}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{79432, 76977, 66052}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{316754, 256502, 230283}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{800830, 783095, 666501}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{228747, 166498, 148766}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{293509, 367539, 303463}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{280710, 248143, 231518}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2826999, 2628322, 2478643}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{40497, 40969, 39010}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{43374, 30968, 21483}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{1, 72163, 64620}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{232277, 248963, 244720}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{286052, 228195, 206882}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{3654219, 3509228, 2408912}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{115570, 126732, 110768}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{111763, 84190, 79405}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{18747, 19379, 17965}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{25267, 37658, 1}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{88854, 73830, 67457}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{131521, 84527, 88769}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{95016, 87059, 82964}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{233663, 206930, 203071}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1368684, 1049920, 1038384}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{34645, 1, 1}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{34080, 27582, 26276}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{87823, 78755, 63366}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{954455, 962918, 899432}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{257481, 214961, 198505}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{103361, 114985, 113097}, 
     {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", ""}}, 
   {552.4757, 14.950529, "Meta"} -> {{251110, 168256, 142670}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{38293, 37306, 28417}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{53195, 59732, 53394}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> {{107176, 111318, 83184}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{81373, 92010, 65488}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{436011, 916708, 718586}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{38244, 28283, 26041}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{186689, 1, 194954}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{17583, 20506, 21001}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{77503, 73563, 63398}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{1986630, 1619689, 1413018}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{42098, 37477, 35644}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{2139282, 2066665, 1759135}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{64538, 68078, 67230}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{103008, 69176, 61106}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{197413, 181924, 169733}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{68524, 58570, 63385}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{646797, 434854, 461133}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{56938, 85953, 77628}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{437637, 387245, 338558}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{26193, 17203, 20423}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{831115, 423022, 516618}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{133028, 57058, 43320}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2326836, 1820379, 1641735}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{65872, 54448, 49930}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{3439292, 1317048, 1870468}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{72356, 57729, 70988}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{356821, 279556, 219453}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{134707, 114071, 123469}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{1088427, 824471, 840470}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{63466, 49635, 43509}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{6239620, 4941937, 4259703}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{200111, 161495, 165620}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{52083, 39204, 30970}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{125057, 72176, 58852}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{64605, 57808, 52703}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{467359, 451610, 452268}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{265232, 219751, 221215}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{154949, 197093, 261447}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{27388, 29582, 42360}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{44743, 59621, 45631}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3730229, 3823528, 3968176}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{57885, 59491, 58273}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 51427, 60547}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{119444, 76887, 79962}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{46080, 1, 63598}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{56379, 16382, 35965}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{50999, 57602, 40196}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{73245, 51494, 34256}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{1221840, 2046683, 728339}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{55013, 45140, 46798}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{47503, 50548, 33545}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{68407, 57217, 69317}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{129025, 59875, 165793}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{136893, 143200, 100546}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{38114, 29665, 36706}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{20130, 81665, 27440}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{265060, 226008, 168532}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{51006, 46600, 44344}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{371378, 280712, 258004}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1416232, 1200333, 1595955}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{598308, 417436, 529594}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{31848, 35044, 58458}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{40864, 45986, 44038}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2258570, 1265793, 1117630}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{60147, 59329, 56530}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{3667468, 2763612, 2703537}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1514176, 1502508, 2558705}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{467966, 465321, 338166}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{110058, 108135, 70294}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{27105, 26668, 23644}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{229345, 151859, 139834}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.96*^7, 1.78*^7, 1.2*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{85039, 72511, 78501}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{14446, 112894, 170703}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{69999, 71588, 33388}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{223430, 212464, 180284}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{26978, 25831, 40774}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{138587, 128552, 128349}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{20794, 71116, 77316}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{520159, 449475, 418740}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{51397, 35245, 36023}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{47922, 58932, 92332}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{41329, 36284, 42615}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{312388, 229592, 201756}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{192958, 150622, 164144}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{31106, 35581, 43091}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{140873, 76269, 165103}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{161044, 158906, 219858}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{160947, 140744, 80042}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.64*^7, 1.57*^7, 9641158}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{244222, 201362, 290337}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{8273749, 8165752, 6148573}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{100967, 83458, 44740}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{236914, 211496, 308990}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{32185, 43410, 24422}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{117449, 87852, 110842}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{1, 30319, 1}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{15827, 16472, 30831}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{82881, 69196, 66427}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{2805393, 1, 1607775}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{3797386, 4783633, 3228894}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{26263, 30823, 37556}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{228213, 186193, 241295}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{54019, 23899, 88969}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1578316, 1532630, 1156552}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{1, 1, 27546}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{8400153, 6813666, 8073983}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{783524, 774033, 645691}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{124449, 102754, 122242}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{203491, 200304, 166863}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{318441, 322105, 284032}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{46818, 40456, 40364}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{18385, 11316, 19685}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{48550, 57232, 40903}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{244609, 186359, 281579}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{33208, 32046, 26700}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{28442, 58419, 46788}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{522661, 586710, 555869}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{69446, 72144, 1}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{993062, 1259931, 1295162}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{5318572, 4523697, 5272434}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{37889, 36416, 67360}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{621480, 524690, 540233}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{115717, 110212, 91657}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{888094, 795101, 825513}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{240098, 225968, 196488}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2402695, 2394160, 2436459}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{32889, 37610, 34570}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5103585, 4027505, 4888677}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1682928, 1573240, 1594547}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{291360, 331369, 210622}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{175207, 158046, 157581}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{51920, 67150, 54743}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{101541, 83327, 112413}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{25662, 21478, 18505}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{566844, 496908, 447799}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{937602, 983282, 619863}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{43796, 55442, 37441}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{65715, 65485, 67895}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{389499, 402372, 342664}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{2811952, 2863897, 2006224}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{60466, 52062, 61123}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{1794856, 1826092, 1343380}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{54234, 46404, 38514}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1212680, 1032690, 1068601}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{126285, 117255, 135854}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{137549, 110768, 163991}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{74086, 79650, 165967}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{20080, 18967, 26600}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{310035, 280105, 244145}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{73641, 56906, 78054}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{73776, 102215, 45543}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{96758, 86490, 75923}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{269810, 284542, 191507}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{1858291, 1621201, 1375666}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{97501, 93372, 77531}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1717151, 1696303, 1688615}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{241058, 250831, 169905}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{6366910, 6268151, 5461137}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{20379, 19160, 23490}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{55221, 52618, 43930}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{173919, 184440, 149404}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{968835, 967381, 867561}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{210423, 310199, 113570}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{121246, 153182, 64423}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{942923, 811052, 787590}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1106994, 1072802, 957157}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{13748, 12700, 18351}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{414876, 436538, 267652}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{121058, 112486, 85008}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2838557, 2744350, 2379907}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{526399, 672430, 286167}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{61894, 50288, 47789}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{231863, 338326, 107467}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{169878, 129243, 135776}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{438582, 366405, 527989}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{131064, 102019, 122638}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1042823, 1499608, 496943}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{204700, 191308, 192063}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{220700, 246841, 166023}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{122374, 120934, 89075}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{189072, 122499, 149442}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{126705, 100747, 114034}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{288480, 146257, 264678}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{88148, 86381, 108032}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1334808, 1499193, 1130262}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{182504, 138756, 157297}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{229109, 421464, 122296}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{1, 45821, 74212}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{27861, 22226, 28527}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{331481, 176640, 182457}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{65802, 48669, 77910}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{67435, 47144, 52147}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{578736, 487763, 508798}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{47051, 56833, 69089}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{218496, 211508, 273804}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{99208, 34005, 136225}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{19161, 17190, 25496}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{80075, 69793, 100536}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{508134, 423729, 451863}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{38598, 32089, 46675}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{920291, 744005, 773891}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{724658, 954477, 366378}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{34045, 47736, 19898}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{70309, 58982, 66297}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{62431, 54971, 70772}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1295765, 1911960, 613806}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{51898, 77670, 28464}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{35849, 72901, 21467}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2231215, 2244902, 1527960}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{205860, 214563, 141241}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{497650, 413315, 401738}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1569699, 1600790, 1823625}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{183276, 56070, 1}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{47467, 37736, 46811}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{109998, 91064, 99667}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{231641, 187970, 219019}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{452465, 203575, 322864}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{42834, 42850, 71993}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{319594, 268624, 269838}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{586655, 528326, 473357}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{139664, 148458, 164588}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{81778, 131890, 1}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{693635, 1289735, 350288}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{359917, 387311, 225140}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{182117, 176861, 173431}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{50112, 73808, 23314}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{1041610, 804700, 929242}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{48774, 42978, 81406}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{75995, 120037, 45488}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{1, 153731, 183744}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{133690, 108241, 98634}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{145137, 120268, 108281}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{146202, 125309, 118420}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{305491, 302110, 306068}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{428385, 375676, 367826}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{52349, 61434, 69150}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{85068, 70245, 89861}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{464600, 388013, 362847}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{30504, 23043, 28023}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1118053, 675234, 1030586}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{544276, 483593, 449039}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{55018, 42667, 39949}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{4300807, 4321192, 4637794}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{95878, 154620, 58990}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{751257, 1434411, 381407}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{104957, 84609, 91128}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{95817, 126970, 57102}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{474556, 380520, 393351}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{137638, 115452, 108164}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{29952, 24090, 26125}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{866092, 790927, 600460}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{25066, 1, 22706}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{1, 22357, 23444}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{18951, 20713, 21862}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{1, 22538, 15580}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{19357, 18638, 18118}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{16539, 18142, 1}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{21228, 20628, 19788}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{14560, 14608, 13992}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{188473, 1, 176318}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{232879, 218450, 210897}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{244050, 212657, 203722}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{1, 328305, 425036}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{43109, 26785, 44848}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{411167, 360943, 404581}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{131633, 111819, 128241}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{32999, 1, 1}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{39819, 77927, 1}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{29341, 1, 26090}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{113047, 93209, 111590}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{1, 160195, 154623}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{1, 2419016, 2449712}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{286187, 267609, 264996}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{60415, 99131, 48061}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{33896, 27649, 1}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{96301, 90448, 89421}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{185703, 164337, 183939}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{1, 20935, 19656}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{21579, 1, 24493}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{17669, 1, 24482}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{1, 1, 1}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{1, 1, 1}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{33977, 1, 23077}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{55600, 46789, 49660}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{1, 230863, 1}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{22081, 1, 28922}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 44842, 40180}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{1, 1, 14137}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{15580, 1, 16678}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{23845, 21286, 23429}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{1, 1, 1}, {"hydroxy acid of Etoposide [ \
C29 H34 O14, db=66.35, overall=66.79, mfg=67.24, KEGG ID=, CAS ID=172138-89-5 \
]", "172138-89-5"}}, {430.2027, 12.269668, "Meta"} -> 
    {{21433, 21024, 15985}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{27393, 26250, 26645}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{20525, 1, 16596}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{11564, 1, 16650}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{34780, 31726, 27911}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{14768, 1, 16053}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{37320, 58509, 60775}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{49984, 1, 1}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{1, 375794, 1}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{42446, 51058, 38897}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{48840, 152022, 1}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{141344, 131245, 110943}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{13399, 24759, 19841}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{247240, 1, 170954}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{100827, 111609, 1}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{1, 27844, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{29952, 32843, 30705}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{28518, 24058, 1}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{61786, 68677, 63929}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{39643, 1, 40528}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{58731, 48278, 44992}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{33804, 29636, 1}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{1, 24273, 19698}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{62559, 53626, 57443}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{142101, 1, 241564}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{79076, 46925, 1}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{12515, 1, 19160}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{44474, 42466, 37622}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{418966, 451543, 1}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{120391, 89091, 135947}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{1, 18612, 1}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{24604, 32677, 24398}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{168161, 117378, 116811}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{153249, 188330, 1}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{880346, 716495, 723135}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{10421, 77784, 72412}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{1, 163592, 92788}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{630114, 1014276, 469054}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{140207, 120216, 1}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{101965, 126067, 109326}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{182850, 142130, 123121}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{1, 1, 95090}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{27018, 18247, 57881}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{1, 1, 37984}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{409089, 351410, 407465}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{21282, 33219, 51414}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{45544, 41552, 102872}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{80777, 88068, 75259}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 23068, 1}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{211905, 163520, 238274}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{24332, 1, 37190}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{91360, 94424, 131537}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{701845, 645858, 510498}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{48585, 49368, 47031}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 83141, 115982}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{28741, 1, 25428}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{286676, 229686, 230962}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{148993, 163623, 237248}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{68278, 101037, 1}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{45764, 37480, 41399}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{43699, 46714, 1}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{19320, 24605, 23159}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{22112, 56910, 61584}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{70573, 59381, 65193}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{38418, 39432, 1}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{23243, 1, 1}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{263506, 218075, 1}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{1, 57558, 1}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{1, 37790, 19016}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{56534, 22999, 34126}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{54587, 110554, 65619}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{81167, 66500, 72523}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{1, 146813, 223181}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{1, 145401, 196778}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{333460, 378332, 325628}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{1, 38297, 41549}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{27848, 25771, 31271}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{25484, 22996, 20452}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{1, 18774, 1}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{125040, 1, 118406}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "17" -> <|{457.0024, 0.34764, "Meta"} -> {{18653, 12574, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{38270, 30468, 26779}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{21167, 13304, 16043}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{20403, 16114, 13698}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{30843, 22510, 21747}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{95512, 80187, 74206}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{49477, 45759, 43802}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{50287, 39665, 39490}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{1, 13071, 11955}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{1, 7855, 1}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{14642, 16343, 15169}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{10005, 10123, 10522}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{14307, 15037, 14355}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{1, 15959, 16527}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{1, 8015, 1}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{22301, 20672, 15978}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{1, 35412, 34649}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{61548, 60383, 52812}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{20671, 18122, 14826}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{79156, 74162, 73766}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{70961, 64474, 62670}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{52675, 48862, 44343}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{85446, 81646, 74116}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{44206, 44772, 45894}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{607557, 515155, 510627}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{1, 14916, 14240}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{113817, 106942, 100478}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{61141, 53727, 54560}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{152700, 141644, 139806}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{80436, 78937, 72275}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{18876, 18420, 17466}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{304307, 287906, 285890}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{26649, 22142, 22379}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{217519, 202820, 197414}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{31298, 33611, 32340}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{394094, 393037, 363655}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{1, 32575, 36233}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{803045, 771362, 748421}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{507741, 483178, 470467}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{897164, 868610, 856753}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{27691, 28954, 25752}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1437475, 1378031, 1319685}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1662713, 1603145, 1545607}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1167835, 1099205, 1069503}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1316227, 1265336, 1216364}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{21276, 16359, 19434}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{711375, 682853, 631700}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{67637, 65176, 61996}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3367640, 3407745, 3320756}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{51692, 45025, 44890}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{71575, 71224, 69330}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{58517, 54473, 51585}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{21389, 19225, 20392}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{71942, 70228, 66847}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{35413, 34837, 33949}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{72974, 69854, 69838}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{56307, 53615, 47690}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{15473, 17904, 17620}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{21063, 14152, 15218}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{16071, 15523, 12763}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{13580, 12276, 13854}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{210324, 1, 180870}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{699745, 701430, 656882}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{172208, 168004, 157639}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{1, 148257, 1}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{143923, 134713, 127295}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{37706, 36840, 1}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{61706, 59837, 56985}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{122928, 1, 85014}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{349298, 314986, 314083}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{100642, 95683, 64342}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{371373, 349774, 342411}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{117094, 122309, 98357}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{122940, 114683, 79930}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{208614, 199672, 191110}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{33554, 24185, 36504}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{23422, 23580, 25325}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{73321, 89779, 77722}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{1, 67143, 1}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{117838, 134924, 134951}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{83211, 87967, 1}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1357652, 1402018, 1325580}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{119768, 115076, 110027}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{1, 47917, 44712}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{1, 184966, 170810}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{8226786, 8097887, 7481062}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{92676, 96691, 1}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{147482, 132329, 137367}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{1, 1, 1}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{59282, 48993, 44436}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{79586, 49043, 49753}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{113772, 162633, 162786}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{1, 169757, 175884}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{197335, 396521, 420719}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{52091, 57435, 51174}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{298854, 180209, 311334}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{102140, 84758, 52241}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{952278, 1139580, 1115239}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{491855, 1, 154002}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1944667, 1868879, 1767014}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{25423, 41726, 36141}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{227631, 216999, 204005}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{214527, 223126, 226496}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{640685, 626044, 576810}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{157693, 171234, 143639}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{1, 37820, 28685}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{116859, 100760, 87565}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{160735, 136668, 115084}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{35303, 32533, 21602}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{494336, 448105, 383141}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{32950, 30551, 20852}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{452823, 465182, 416927}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{26123, 38444, 39303}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{8191426, 7699277, 4946121}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{92286, 1, 85435}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{169276, 1, 154127}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{450110, 339946, 153108}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{94918, 79542, 1}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{25195, 1, 1}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{148413, 149673, 137749}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{213333, 1, 183288}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{28979, 32994, 18865}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2422874, 2402609, 2093049}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{73388, 66770, 56690}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{114374, 99326, 127322}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{504972, 533139, 1}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{35349, 33304, 37770}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{1, 71527, 65240}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{126377, 126422, 119045}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{116720, 131699, 150367}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{43713, 44561, 45271}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{20929, 21457, 21433}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{98846, 80398, 1}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.25*^7, 1.11*^7, 1.01*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 25717, 1}, {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", 
      ""}}, {184.0236, 0.6534444, "Meta"} -> {{449356, 483953, 518882}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{370063, 397989, 326105}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{41769, 43799, 38545}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{112614, 106085, 89293}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{32057, 30445, 25008}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{830674, 785958, 720826}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{189784, 1, 144470}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{26980, 26255, 27497}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{26544, 23990, 21229}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{31289, 24870, 21536}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{33622, 27840, 24187}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{25576, 17641, 13209}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{104723, 82739, 64179}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{44215, 26754, 21938}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{18519, 19040, 1}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{34877, 36295, 27936}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{176357, 218641, 196004}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{32974, 36393, 26869}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{46924, 66789, 41958}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{48704, 1, 44787}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{288815, 308369, 308736}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{202740, 191793, 183981}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{151827, 162996, 152388}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{113698, 1, 106128}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{293921, 1, 283012}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{1, 79454, 72155}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{1, 1, 1}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{33390, 37814, 37054}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{1, 301504, 1}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{1, 69528, 30305}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{236337, 216550, 181145}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{152510, 179568, 141309}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{3554909, 3560276, 3029490}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{1, 1, 75489}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{46934, 47090, 36106}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{29196, 43388, 32183}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2045299, 2654256, 2394300}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{142870, 176623, 132288}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{37472, 32474, 36534}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{16794, 1, 1}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{7550069, 7821237, 6599363}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{67976, 80409, 68853}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1, 575402, 291817}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{412832, 431658, 410380}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{1, 24536, 1}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{187907, 1, 136590}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{390545, 394470, 320744}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{9363937, 1.03*^7, 9413875}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{1, 198934, 165921}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, \
db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{174041, 141020, 114459}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{97174, 1, 70674}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{6613281, 6068190, 4135453}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{354731, 384374, 322649}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{1, 273301, 115759}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{30495, 58284, 1}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{333952, 356862, 317797}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{51776, 147240, 148043}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{4.7*^7, 5.1*^7, 4.58*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1245490, 1268036, 1077219}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{1849714, 2054646, 1723461}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{92475, 1, 80524}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{62190, 61094, 64788}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{59681, 1, 1}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{28792, 36014, 36798}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{1, 37286, 40918}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{641758, 687429, 615111}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{571532, 449577, 189484}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{1, 1, 1}, {"3-(4-Hydroxyphenyl)propionic \
acid [ C9 H10 O3, db=99.13, overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG \
ID= ]", ""}}, {185.1052, 4.959893, "Meta"} -> 
    {{1, 1, 1}, {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, \
KEGG ID=, CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{47971, 53201, 46127}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, \
overall=81.82, mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{50653, 58868, 52600}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{58902, 70333, 61506}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{17731, 21855, 18910}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{78541, 87909, 79088}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{32665, 79238, 112311}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{510249, 452645, 308787}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{88740, 92194, 64815}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{77251, 71733, 53015}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{1, 1, 1}, {"a-Methyl-3,4-dihydroxyphenylp\
ropionic acid [ C10 H12 O4, db=96.43, overall=96.70, mfg=96.97, KEGG ID=, CAS \
ID=53832-94-3 ]", "53832-94-3"}}, {351.1583, 5.5754156, "Meta"} -> 
    {{42836, 50445, 40381}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{18731, 23924, 19584}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1366352, 1530264, 1326950}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{19801, 30026, 26399}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{146395, 167147, 158105}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{36896, 46107, 43559}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{19655, 23731, 19406}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{55244, 50315, 1}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{69081, 77112, 56536}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{1, 17428, 15358}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{1, 1, 1}, {"2-Propylglutaric acid [ C8 \
H14 O4, db=86.38, overall=86.39, mfg=86.41, KEGG ID=, CAS ID=32806-62-5 ]", 
      "32806-62-5"}}, {1076.5266, 6.2318325, "Meta"} -> 
    {{49286, 58709, 48874}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{32362, 30691, 33301}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{215284, 182209, 162796}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{346143, 364691, 321606}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{65391, 68592, 61823}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{72914, 80652, 62231}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{83527, 92493, 80297}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{22800, 18965, 19100}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{117740, 128996, 113677}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{89147, 99929, 87767}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{47075, 26972, 20101}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{27722, 33549, 18871}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{764391, 835767, 676222}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{62701, 64531, 63505}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{1975378, 2166780, 1756426}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{63324, 65231, 49801}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{143916, 151579, 150661}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{31914, 43711, 30778}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{223964, 516380, 249689}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{26003, 1, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{123238, 300643, 92649}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{139028, 85417, 33426}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{85693, 106602, 88188}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{62134, 116056, 58340}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{1.08*^7, 2.04*^7, 1.08*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{32493, 1, 1}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{67690, 134684, 1}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{24415, 49963, 27583}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{646587, 695839, 600389}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{24091, 1, 1}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{16143, 1, 1}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{24528, 19852, 1}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{1, 1, 21878}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{1, 1, 1}, {"Methoxyhydroxymethylhydroci\
nnamic acid [ C11 H14 O4, db=86.54, overall=86.58, mfg=86.62, KEGG ID=, CAS \
ID=53832-93-2 ]", "53832-93-2"}}, {920.4252, 7.4629674, "Meta"} -> 
    {{72832, 78388, 73095}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{158689, 174380, 152459}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{1, 1, 1}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{117613, 95753, 102820}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{84523, 118168, 116611}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{91104, 90883, 98131}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{51256, 60874, 55267}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{273174, 288176, 253860}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{14596, 13729, 1}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{66364, 1, 24153}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{46106, 66665, 61817}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{270005, 341437, 310073}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{321723, 348865, 303260}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{18012, 15301, 1}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{57605, 20024, 24849}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ \
C11 H12 O4, db=94.36, overall=95.12, mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]"\
, ""}}, {318.1222, 8.119849, "Meta"} -> {{73045, 25093, 31634}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{291551, 539541, 449260}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{47428, 58631, 51718}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{1, 19400, 1}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{119076, 128797, 114730}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{1, 1, 1}, {"6,9-dioxo-decanoic acid [ \
C10 H16 O4, db=85.88, overall=86.35, mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {658.2838, 8.636967, "Meta"} -> {{1, 12403, 1}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{38218, 38233, 35551}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{161618, 334034, 346218}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{50239, 48007, 25671}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{43288, 52087, 43502}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{1, 39073, 1}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{1350415, 1619931, 1509583}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{29145, 44718, 39948}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{125529, 137933, 141546}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{845853, 977859, 942086}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{176364, 233438, 227076}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{52420, 80653, 73300}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{1, 1, 1}, {"QH2 [ C19 H28 O4, db=95.92, \
overall=96.14, mfg=96.36, HMP ID=HMDB01304, KEGG ID= ]", ""}}, 
   {201.1365, 8.716999, "Meta"} -> {{44349, 58637, 47478}, 
     {"Capryloylglycine [ C10 H19 N O3, db=71.35, overall=72.27, mfg=73.19, \
HMP ID=HMDB00832, KEGG ID= ]", ""}}, {496.2309, 8.7241125, "Meta"} -> 
    {{75213, 75698, 70113}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{1, 1, 1}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{43834, 69656, 67006}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{522791, 754621, 723953}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{73018, 99799, 94090}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{497527, 765490, 762412}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{50377, 63961, 71621}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{35945, 1, 38027}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{136348, 144838, 143274}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{19246, 33368, 1}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{1, 1, 1}, {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", 
      ""}}, {202.1205, 8.978412, "Meta"} -> {{27713, 27894, 1}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{56732, 63797, 60191}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{23423, 28482, 25972}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{15918, 15391, 16830}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{43008, 41410, 47030}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{20295, 20585, 20873}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{133696, 225588, 215791}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{20597, 24462, 22000}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{168593, 156190, 170008}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{70818, 74957, 72557}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{1, 1, 1}, {"15-keto-PGE2 [ C20 H30 O5, \
db=78.53, overall=78.55, mfg=78.56, Lipid ID=LMFA03010030, KEGG ID= ]", ""}}, 
   {544.2876, 9.344885, "Meta"} -> {{24660, 22972, 20689}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{49259, 48963, 50470}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{15741, 19053, 13588}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{38924, 42138, 39286}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{1, 1, 1}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, \
mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{1, 32842, 20882}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{40111, 59504, 60319}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{17236, 22664, 20791}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{266472, 285083, 253022}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{46149, 58145, 54884}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{122410, 164394, 135251}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{85769, 94626, 79494}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{19327, 18750, 18781}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{1, 40515, 39028}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{15000, 1, 14296}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> 
    {{1, 1, 1}, {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{1, 55399, 30308}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{1534154, 1675084, 1519419}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{44598, 47373, 43111}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{54737, 1, 64385}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 14131, 1}, {"b-D-Glucopyranosiduronic \
acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, db=76.39, overall=76.75, \
mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", "294213-87-9"}}, 
   {422.2306, 9.762639, "Meta"} -> {{245277, 273250, 248537}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{14061, 15747, 1}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{18476, 20175, 18626}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{266126, 297191, 266708}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{1, 54354, 45366}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{255187, 357067, 321649}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{1, 28853, 26403}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{65788, 42472, 45686}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{30432, 33959, 31565}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{180881, 191397, 170565}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{51120, 51364, 58929}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{129473, 123878, 126511}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{45671, 50393, 39887}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{44858, 31867, 31627}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{410974, 462123, 416584}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{15375, 16337, 14300}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{1, 18718, 14644}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{1, 1, 1}, 
     {"17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-gl\
ucuronide [ C27 H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS \
ID= ]", ""}}, {186.1256, 9.981147, "Meta"} -> {{131682, 1, 146878}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{56204, 64288, 60837}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{30604, 35881, 35442}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{120494, 1, 79509}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{17178, 1, 18900}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{94460, 112148, 92807}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{7123225, 7964026, 7214362}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{22267, 27304, 25661}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{255804, 299401, 278495}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{54107, 58317, 53455}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{111299, 108170, 110138}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{254231, 286290, 274333}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{33216, 38490, 38531}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{31635, 39053, 33817}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{33890, 38089, 24114}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{22665, 31280, 25047}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{73446, 78014, 71564}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{44911, 50228, 49792}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{23427, 28032, 23914}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{55208, 64145, 56239}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{280621, 323327, 286001}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{40874, 44067, 39704}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{137959, 158010, 133181}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{38721, 41130, 36986}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{30061, 1, 25536}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{33105, 36489, 37016}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{392242, 429619, 388501}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{33695, 34528, 1}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{76329, 84756, 78207}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{1, 1, 1}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{235850, 272392, 254054}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{1, 19784, 18304}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{132797, 154162, 123501}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{161090, 80853, 61047}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{2154452, 691572, 318473}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{429908, 128680, 73917}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{130155, 153429, 152800}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{33635, 37224, 34949}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{68361, 73770, 67436}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{1, 1, 21636}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{16123, 17220, 1}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{18826, 19891, 19292}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{80234, 87031, 77500}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{34716, 21833, 30857}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{16973, 20003, 14133}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{24595, 29089, 23357}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{31478, 32920, 28597}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{18381, 14535, 16917}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{1, 11577, 1}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{39560, 45117, 43413}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{1, 1, 1}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, \
db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{1, 1, 1}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{1, 1, 1}, {"Traumatic acid [ C12 H20 \
O4, db=79.20, overall=79.73, mfg=80.26, HMP ID=HMDB00933, KEGG ID= ]", ""}}, 
   {168.1149, 10.536375, "Meta"} -> {{33524, 49837, 1}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, overall=61.76, mfg=61.73, \
Lipid ID=, KEGG ID= ]", ""}}, {184.1463, 10.539221, "Meta"} -> 
    {{126802, 131605, 123721}, {"3E-undecenoic acid [ C11 H20 O2, db=87.41, \
overall=87.42, mfg=87.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {190.1026, 10.573134, "Meta"} -> {{1, 1, 28171}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{17450, 20566, 1}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{577534, 622194, 569150}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{24307, 45916, 35257}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{59719, 1, 65591}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{147438, 206800, 235383}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{53124, 22434, 21373}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{1, 1, 1}, {"bicyclo-PGE2 [ C20 H30 O4, \
db=93.97, overall=93.98, mfg=93.99, Lipid ID=LMFA03010034, KEGG ID= ]", ""}}, 
   {188.1412, 10.695612, "Meta"} -> {{429454, 483976, 419302}, 
     {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, overall=99.91, mfg=99.92, \
HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{201967, 127245, 82561}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{1, 19292, 24308}, 
     {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", ""}}, 
   {242.152, 10.732443, "Meta"} -> {{148569, 169840, 143672}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{19421, 19124, 1}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{1, 1, 44867}, {"Dodecanedioic acid [ C12 \
H22 O4, db=65.26, overall=65.75, mfg=47.61, HMP ID=HMDB00623, KEGG ID= ]", 
      ""}}, {384.1609, 10.767223, "Meta"} -> {{90639, 110808, 102243}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1165, 10.800897, "Meta"} -> {{36605, 1, 40200}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{31303, 37281, 27673}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{1, 1, 1}, {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{263237, 353144, 291838}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{1, 16393, 1}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{27797, 23212, 18873}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{19758, 24668, 21609}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{113333, 151622, 113501}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{75093, 86388, 80282}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{324020, 364796, 312613}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{30929, 17612, 15310}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{66626, 66478, 65573}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{50536, 84304, 52639}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{32381, 25404, 26280}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{130563, 150668, 137248}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{24834, 16994, 16321}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{32199, 44438, 33834}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{71989, 70367, 63868}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{1, 1, 1}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, overall=75.15, \
mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{31695, 39052, 34990}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{20749, 1, 1}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{1, 18706, 16225}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{62343, 59710, 65630}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{118697, 135793, 123346}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{18669, 16822, 17929}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{66574, 64759, 66105}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{505239, 498078, 442701}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{27339, 23538, 1}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{1, 1, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{248695, 282106, 266932}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{1, 1, 1}, {"2-methyl-dodecanedioic acid \
[ C13 H24 O4, db=77.92, overall=77.95, mfg=77.98, Lipid ID=, KEGG ID= ]", 
      ""}}, {266.1519, 11.257694, "Meta"} -> {{45036, 58628, 46753}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, mfg=65.58, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {601.292, 11.258666, "Meta"} -> 
    {{42659, 47334, 39767}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{114980, 129274, 117108}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{16563, 18360, 15765}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{28013, 28912, 24466}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{20616, 16236, 16739}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{42390, 37988, 37972}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{2207913, 1831804, 1903604}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{1, 20544, 20409}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{33674, 34536, 36568}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{15352, 18339, 1}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{486519, 500068, 454252}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{40389, 43909, 42031}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{67405, 59596, 61212}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{40913, 43323, 41846}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{32165, 21812, 52624}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{87095, 74694, 71984}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{16354, 18321, 1}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{37202, 43557, 38381}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> 
    {{1, 1, 1}, {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, \
overall=62.42, mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{11743, 13716, 12502}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{81767, 92198, 88141}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{89590, 106947, 98063}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{3158110, 3502018, 3206261}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{38957, 42517, 36568}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{1, 26374, 23428}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{1, 1, 10546}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{25009, 32674, 28634}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{72025, 78717, 74979}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{195168, 219480, 202527}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{34027, 41675, 37052}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{44183, 54614, 1}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{1, 1, 21581}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{115621, 112464, 112577}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{25251, 29982, 25128}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{101802, 114983, 99134}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{89159, 95458, 85057}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{97244, 104553, 88909}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{45631, 53354, 42312}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{67579, 57868, 78697}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{30190, 29807, 26613}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{49250, 51728, 44912}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{1, 14969, 1}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 \
H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", ""}}, 
   {654.2299, 11.549442, "Meta"} -> {{103712, 117388, 127536}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{731174, 802095, 831770}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{45176, 40091, 50997}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{90840, 102569, 93538}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{98086, 98567, 96620}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{38780, 24904, 24816}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{1, 15758, 1}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{225169, 254321, 263463}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{36321, 35230, 25547}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{41763, 39021, 37714}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{418426, 452986, 417204}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{75423, 77548, 82187}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{16244, 1, 13494}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{75829, 69888, 67731}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{38787, 37592, 39951}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1099924, 1167354, 1080963}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{16505, 18686, 1}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{54998, 59469, 56528}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{129136, 138693, 129823}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{1, 11917, 1}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{106095, 72842, 103401}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{145125, 160377, 148245}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{25506, 27113, 27476}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{30924, 32751, 1}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{724068, 796350, 753683}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{46272, 53643, 49475}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{1, 1, 1}, {"Cholylglycine [ C26 H43 N \
O6, db=99.75, overall=95.19, mfg=99.80, KEGG ID=, CAS ID=475-31-0 ]", 
      "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{29664, 38303, 1}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{16743, 1, 12641}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{197000, 212190, 187886}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{1, 1, 1}, {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{36875, 36235, 31151}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{37920, 41924, 32850}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{560042, 536298, 461268}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{12316, 1, 14250}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=97.74, \
overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{25816, 27880, 1}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{80053, 92087, 36849}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{29230, 32760, 29254}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{51240, 48079, 45097}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{84962, 110622, 130267}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{47333, 54536, 45778}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{1, 1, 1}, {"Loratadine [ C22 H23 Cl N2 \
O2, db=70.12, overall=69.62, mfg=69.12, KEGG ID=C07081, CAS ID=79794-75-5 ]", 
      "79794-75-5"}}, {529.3014, 11.879704, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", 
      ""}}, {447.2986, 11.879584, "Meta"} -> {{11950, 20653, 12034}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{42597, 71549, 68403}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{27071, 25213, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{65682, 62656, 64960}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{18829, 19143, 17255}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{53557, 55387, 56949}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{14106, 14118, 1}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{164314, 123466, 125380}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{1, 1, 12268}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{213429, 232215, 204006}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{17634, 19073, 17041}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{33593, 37516, 30660}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{376943, 350690, 342664}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{1, 1, 1}, {"Taurallocholic acid [ C26 \
H45 N O7 S, db=81.34, overall=81.87, mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]"\
, ""}}, {566.3086, 11.948454, "Meta"} -> {{14390, 15442, 14204}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{1, 19872, 15975}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{325745, 337974, 305863}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{23313, 1, 1}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 \
H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {414.2078, 12.023414, "Meta"} -> {{83501, 86122, 77335}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{1, 15517, 1}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{99411, 77525, 76933}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{44851, 58487, 50387}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{1, 1, 1}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{209051, 205389, 189130}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{1.55*^7, 1.56*^7, 1.47*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{206571, 241616, 220234}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{438632, 443186, 415578}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{47304, 51622, 54081}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{80632, 84847, 70180}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{1, 19361, 13184}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{23009, 24209, 25173}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 14242, 1}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{1, 15036, 16776}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{52659, 53338, 53132}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{70828, 78148, 79146}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{23409, 23585, 20987}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{183498, 202383, 181594}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{29744, 33869, 29154}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{12743, 14511, 13399}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{222624, 217696, 221773}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{41447, 37755, 24710}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{19497, 20201, 19545}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{24740, 24969, 22054}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{35282, 38036, 35199}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{1, 33997, 36110}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{21251, 22230, 18439}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{384972, 395310, 382287}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{1, 15757, 15597}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{42870, 45054, 43756}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{23129, 21163, 1}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{254656, 236468, 247877}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{58210, 54492, 56392}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{83029, 85721, 75339}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{37505, 26853, 34172}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{24249, 22991, 24419}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{32569, 32706, 31629}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{33380, 46678, 33559}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{1, 1, 34885}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1614507, 1653129, 1547962}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{193917, 202527, 197324}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{29676, 38699, 36882}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{95971, 109189, 101423}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{143312, 141963, 127482}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{53668, 57745, 47687}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{35948, 34113, 19367}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{20299, 19959, 17532}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{77062, 79745, 71317}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{19606, 22626, 20554}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{1684260, 1672776, 1570231}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{15265, 1, 1}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{1, 1, 1}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{16879, 16139, 17543}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{128020, 149107, 138381}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{80185, 79086, 74058}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{588568, 635235, 571841}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{26007, 25730, 25393}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{50807, 57061, 49410}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{29935, 25131, 1}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{1, 1, 1}, {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{48429, 53706, 43471}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{357345, 379057, 334305}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{1, 1, 1}, {"12beta-Hydroxy-3-oxo-5beta-\
cholan-24-oic Acid [ C24 H38 O4, db=75.13, overall=75.57, mfg=76.00, Lipid \
ID=, KEGG ID= ]", ""}}, {235.1573, 12.267084, "Meta"} -> 
    {{127835, 72574, 55069}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{16293, 17328, 16276}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{15377, 21046, 13165}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{221281, 234999, 212864}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{40660, 40290, 39344}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{1, 17445, 1}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{25325, 22962, 23007}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{1, 24737, 21126}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{31221, 31604, 27531}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{1, 1, 1}, {"Coenzyme Q4 [ C29 H42 O4, \
db=72.95, overall=74.20, mfg=75.44, KEGG ID=, CAS ID=4370-62-1 ]", 
      "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{42648, 51996, 41020}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{30534, 35708, 26970}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{16217, 12613, 18384}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{13857, 15589, 51016}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{319947, 334654, 297401}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{1, 25186, 1}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{338295, 357166, 323768}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{217171, 198337, 197999}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{1, 16788, 1}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{34668, 1, 24725}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{1, 1, 1}, {"3-methyl-tetradecanedioic \
acid [ C15 H28 O4, db=83.30, overall=83.33, mfg=83.37, Lipid ID=, KEGG ID= ]"\
, ""}}, {186.162, 12.35339, "Meta"} -> {{59018, 58059, 39011}, 
     {"Undecylic acid [ C11 H22 O2, db=85.09, overall=85.12, mfg=85.15, KEGG \
ID=, CAS ID= ]", ""}}, {527.2561, 12.364172, "Meta"} -> 
    {{222534, 220179, 185230}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{1, 1, 1}, {"17a-Ethynylestradiol \
6-glucuronide [ C26 H32 O9, db=30.98, overall=15.49, KEGG ID=, CAS ID= ]", 
      ""}}, {504.3295, 12.476778, "Meta"} -> {{20186, 17884, 1}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{269681, 276199, 273025}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{20994, 21227, 20261}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{53407, 48069, 41645}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{95877, 106088, 91877}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{95729, 87626, 74206}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{57117, 65100, 47915}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{6181341, 6228391, 5354410}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{208117, 206161, 176965}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{17551, 20667, 17773}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{29950, 22028, 1}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{1, 1, 1}, {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", 
      ""}}, {819.495, 12.407156, "Meta"} -> 
    {{1, 1, 1}, {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", 
      ""}}, {920.6097, 12.411374, "Meta"} -> 
    {{1, 1, 1}, {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", 
      ""}}, {449.3143, 12.411053, "Meta"} -> {{142703, 139011, 129803}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{1, 1, 1}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{1, 1, 1}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{20417, 26966, 19587}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{174098, 66029, 35461}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{44781, 51612, 40695}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{76900, 78279, 65446}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> {{25710, 29420, 26297}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{49734, 72474, 73666}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{1, 1, 1}, {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{849205, 917354, 805102}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{1, 1, 66784}, {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", 
      ""}}, {264.2089, 12.466646, "Meta"} -> 
    {{1, 1, 1}, {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, \
overall=81.91, mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {242.1884, 12.468972, "Meta"} -> {{99608, 107957, 96262}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.55, \
overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{93378, 101439, 85811}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{23177, 1, 18568}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{36434, 29780, 22815}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{203726, 164015, 158838}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{1, 15904, 17771}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{15004, 1, 1}, {"8E-Heptadecenedioic acid [ C17 H30 O4, db=63.35, \
overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{140569, 148177, 120797}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", 
      ""}}, {920.6096, 12.514935, "Meta"} -> 
    {{1, 1, 1}, {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", 
      ""}}, {449.3134, 12.515945, "Meta"} -> {{162016, 164988, 146302}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{1, 1, 1}, {"12-oxo-9-octadecynoic acid \
[ C18 H30 O3, db=77.08, overall=77.18, mfg=77.27, Lipid ID=, KEGG ID= ]", 
      ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", 
      ""}}, {414.2083, 12.521227, "Meta"} -> {{1, 23144, 1}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{23501, 25383, 19272}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{110150, 93079, 93686}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{64797, 63844, 62221}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{79744, 85278, 74087}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{94564, 109233, 79193}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{1, 1, 1}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{413991, 430511, 354078}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{58771, 59953, 53880}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{45433, 44667, 40866}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{91017, 76826, 71337}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{27596, 27820, 1}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{198240, 162064, 169279}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{110961, 127218, 1}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{142797, 64315, 41707}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1449794, 611807, 310808}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{310835, 317312, 280640}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{16073, 14532, 18473}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{199048, 209271, 148526}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{1, 20176, 1}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{118908, 50884, 32247}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{33317, 252759, 35878}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{111419, 115292, 105991}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{298021, 159541, 106890}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{1, 12986, 1}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{233923, 234986, 242925}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{294107, 133087, 72440}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{39263, 41082, 31300}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{147956, 188066, 162869}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{19918, 24995, 22942}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{22060, 30259, 30492}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{181175, 177180, 150537}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{361543, 362723, 325799}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{471263, 425509, 404281}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{293179, 339826, 287980}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{40022, 46243, 1}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{80992, 94716, 82667}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{124765, 131931, 117728}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{1, 49877, 1}, {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", 
      ""}}, {499.2703, 12.713068, "Meta"} -> {{155795, 76540, 43505}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{136046, 136523, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{24615, 25825, 18086}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{17043, 23580, 20571}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{13359, 16024, 1}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{33662, 34584, 1}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{383718, 429972, 351390}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{17669, 16925, 1}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{287161, 286968, 257849}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{16005, 18717, 17657}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{38964, 24326, 24603}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{905667, 355524, 194873}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{127803, 59083, 38879}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{1, 25548, 23126}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{1759778, 656943, 369593}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{350516, 386226, 330670}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{40614, 43446, 34621}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{91120, 44806, 32683}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{22942, 22779, 18749}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{84754, 126449, 86136}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{140003, 153131, 146808}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{87967, 47519, 20379}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{41089, 46633, 38094}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{282230, 300872, 297363}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{58397, 73471, 66572}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{318347, 270849, 188751}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{27128, 25776, 20075}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{3121283, 3170606, 2270749}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{428442, 424582, 314587}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{18488, 22546, 17372}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{15901, 27916, 23583}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{35238, 35898, 26881}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{89083, 51642, 18648}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{78734, 75993, 66494}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{62043, 44398, 21884}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{62906, 69493, 71487}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{2249339, 1013421, 575527}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{52916, 57213, 51138}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{1, 1, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{111524, 105580, 98296}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{321125, 201320, 97898}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{17061, 21122, 18437}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{153503, 85252, 50674}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{178469, 173693, 137199}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{1.42*^7, 1.57*^7, 1.34*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{128390, 140759, 125517}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{502946, 575503, 486379}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{27724, 50771, 49520}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{119371, 171422, 175906}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{18522, 24599, 23440}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{46053, 49810, 49771}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{15879, 28303, 37373}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{42318, 51109, 41388}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{69670, 50183, 40907}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{39300, 39309, 47083}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{23505, 33375, 26948}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{21479, 25013, 23245}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{21939, 1, 1}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{1, 11602, 1}, {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", 
      ""}}, {486.2824, 12.8755665, "Meta"} -> {{15902, 14127, 14834}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{588896, 515030, 376348}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{129267, 144875, 135089}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{25976, 1, 1}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{22284, 19677, 17941}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{12036, 19805, 12027}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{80787, 48208, 26490}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{84856, 65593, 38498}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{33772, 49498, 58187}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{19601, 21508, 22018}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{416901, 504790, 504324}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{13007, 21918, 17651}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{153205, 207231, 143904}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{1, 38591, 32443}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{128703, 1, 105590}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{256480, 262697, 219684}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{119434, 52814, 21683}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{167070, 189608, 175912}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{292898, 265555, 177529}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{1011512, 1155171, 1065496}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{93283, 112636, 93588}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{153297, 159293, 133452}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{2089881, 1973609, 1513692}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{49284, 37079, 28221}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3981550, 2847713, 2084138}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{48520, 29172, 30347}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{1, 9395, 1}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{50954, 44813, 25549}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{144960, 170390, 149400}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{100023, 187670, 138948}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{248056, 329409, 273954}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{135682, 155080, 98339}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{27199, 28153, 31948}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{37545, 59415, 49797}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{134881, 76295, 41012}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{824030, 720158, 527283}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{14691, 1, 13179}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{114799, 124064, 120437}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{471484, 269179, 150223}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{471517, 287651, 215383}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{70223, 74788, 69697}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{59562, 57101, 38276}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{60557, 36939, 19966}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1675693, 1314813, 950268}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{103698, 79195, 126073}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{129764, 145562, 131814}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{105698, 117827, 85663}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{249547, 130950, 74681}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{74334, 83351, 71043}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{16753, 33015, 41584}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{74102, 111842, 97647}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{58858, 70046, 78527}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{464304, 602683, 667175}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{311007, 199298, 144778}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{8914, 21554, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{20464, 22911, 22344}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{45627, 44706, 48179}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{151285, 157835, 153202}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{145667, 107018, 79615}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{16083, 21461, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{1, 25049, 11339}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{25185, 21363, 14879}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{54721, 68445, 71361}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{43746, 141719, 82426}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{220657, 152461, 85681}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{73497, 52206, 32229}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{291279, 253570, 168857}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{2130494, 1287589, 768274}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{47223, 49004, 41919}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{64328, 44355, 23011}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{114549, 78451, 47544}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{2343776, 1484279, 965500}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2188805, 2275277, 1808944}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{94414, 76733, 1}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{87376, 136219, 159312}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1123003, 559335, 289137}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{65030, 59016, 50397}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1.03*^7, 8977605, 7365022}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{89391, 79567, 73944}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{981772, 1705388, 1953303}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{139374, 219855, 252130}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{47753, 51323, 35182}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{151530, 104626, 79475}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{334265, 321445, 477236}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{82359, 91015, 79865}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{82965, 130345, 58796}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{38231, 53109, 51570}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1489224, 1136656, 883805}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{91298, 89429, 74331}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3081627, 2337110, 1922320}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{235733, 209993, 156232}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{36967, 58663, 67300}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{1, 1, 15218}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{45460, 50317, 40104}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{108453, 51949, 33819}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{918945, 1357987, 1619338}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{685434, 394355, 283023}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{200416, 520823, 540402}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{419805, 533444, 532165}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{198062, 284139, 313260}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{199384, 203909, 141958}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{83332, 92652, 101803}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{30682, 45225, 54441}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{2962034, 3076392, 2690170}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{345423, 246222, 195264}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{55311, 394135, 369917}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{89764, 119238, 116104}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{395174, 467745, 419362}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{917604, 847398, 669121}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{186550, 193945, 140448}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{133201, 84761, 58621}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{147944, 114281, 91536}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{78280, 100390, 56418}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{1, 230714, 211478}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{280475, 308086, 299752}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 23630, 1}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{49356, 51279, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{54987, 64601, 77667}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{1, 30039, 1}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{1, 1, 1}, {"Taurallocholic acid [ C26 \
H45 N O7 S, db=89.64, overall=89.81, mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]"\
, ""}}, {428.2235, 13.127536, "Meta"} -> {{38538, 1, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{30426, 29547, 17299}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{152215, 172042, 143244}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{1, 21988, 14692}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{71537, 58404, 1}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{148013, 112708, 95879}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{76686, 1, 107925}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1220214, 657957, 444396}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{239516, 68486, 25100}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{14065, 15088, 1}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{86415, 54948, 29168}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{167142, 71148, 42953}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{40598, 25264, 17056}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{122586, 83553, 68677}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{34843, 22027, 18919}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{32010, 41144, 41121}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{31692, 49975, 48793}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{32035, 21412, 15440}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{103416, 89810, 64760}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{25256, 29712, 34539}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{35694, 44336, 38228}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{45643, 40520, 27738}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{56939, 66223, 62865}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{36693, 30325, 22398}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{56107, 77175, 104662}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{15764, 28849, 42143}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{219083, 232139, 202115}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{19965, 29456, 41219}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{2303147, 2074211, 1525152}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{61890, 67671, 57541}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{263926, 188342, 124402}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1579918, 1581835, 1591932}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{352449, 333117, 179047}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3585186, 3617341, 3649087}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{86868, 88520, 87097}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.29*^7, 1.26*^7, 1.24*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{285167, 173093, 105461}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{15449, 19342, 15258}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{168178, 210399, 224053}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{312447, 349648, 289368}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{13638, 16518, 12336}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{267985, 339425, 389836}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{60640, 59587, 63307}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{164252, 116182, 100484}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{31623, 44553, 45169}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{1, 21731, 1}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{44561, 83368, 60652}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{19559, 27676, 24718}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{176356, 162170, 122126}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{148291, 170701, 155273}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{16397, 17785, 1}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{311616, 456338, 442410}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{151429, 114016, 67457}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{1, 1, 1}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{33659, 27695, 26538}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{436220, 359980, 297179}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{877342, 857035, 705464}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{90253, 53501, 33295}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{220956, 281214, 284798}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2606995, 2100796, 1566877}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{320649, 209475, 128084}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{30385, 1, 29410}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{130905, 102117, 1}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{109985, 150443, 156492}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{375233, 518457, 513121}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{59480, 40151, 1}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{64983, 65934, 66411}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{24185, 43898, 34162}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{56751, 80965, 92430}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{237681, 285449, 332465}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{48378, 33546, 37276}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{162703, 168720, 176211}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{36889, 37309, 41868}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{1, 75811, 120265}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{34581, 34933, 34398}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{17581, 1, 1}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{94145, 74281, 47358}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{128147, 113131, 105349}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{31921, 44577, 37801}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{433096, 343685, 239127}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{56263, 58691, 29859}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{95471, 126014, 141065}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{1761277, 1370695, 922659}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{12109, 13778, 12556}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{149576, 107749, 65823}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{18204, 12550, 22808}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{114935, 156532, 183950}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{88271, 154222, 108084}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{35483, 42276, 39526}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{1, 1, 1}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{62144, 88799, 74101}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{62537, 73153, 85564}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{31733, 52231, 52354}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{92262, 81133, 57749}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{38216, 45558, 37274}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{313538, 435935, 422331}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{345065, 347732, 295293}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{1, 41401, 57396}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{68168, 65556, 74295}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{242976, 197262, 137692}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{207982, 184409, 170412}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{46087, 70410, 78495}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{3140512, 2571879, 2064228}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.09*^7, 9826476, 8417756}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{88022, 81871, 70942}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{21123, 30763, 27125}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{101805, 99442, 106912}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{83258, 71710, 92925}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{35115, 47592, 47667}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{1, 43798, 35824}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1501224, 1877022, 1779298}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{95478, 112316, 103510}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{205503, 272501, 240417}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{52878, 63165, 55182}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{161839, 192425, 206632}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{126523, 87689, 92011}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{156765, 131529, 93835}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{66071, 80645, 92789}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{827107, 897892, 840943}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{165123, 153972, 101784}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{217480, 164948, 123137}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{269467, 246016, 214231}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{125207, 89631, 67876}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{66370, 64762, 64898}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{793560, 779246, 698440}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{43224, 55107, 51580}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{42052, 40224, 40086}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{111162, 113509, 102146}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{1, 1, 27719}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.41*^7, 1.64*^7, 1.55*^7}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{63593, 64649, 65770}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1937377, 2071710, 2020330}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{27866, 28907, 34062}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{30859, 32803, 42206}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{124676, 132821, 127612}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1722291, 1740383, 1752087}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{71647, 24078, 1}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{49038, 49392, 53312}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{96229, 114579, 100409}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{1, 33744, 32660}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{113852, 121308, 116933}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{55813, 46775, 39071}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{98961, 91728, 73870}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{162072, 75584, 204441}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{101359, 109893, 122276}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{43832, 38819, 24579}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{21773, 26653, 23587}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{49191, 56322, 56439}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1217966, 1417020, 1298842}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{93981, 133762, 136184}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{151421, 149712, 135429}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{60862, 64486, 57722}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{1, 12335, 12005}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, db=75.81, \
overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{102401, 107868, 104926}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{45764, 72824, 1}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{68780, 56185, 41780}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{255536, 260182, 250474}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{35861, 45868, 41287}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{39948, 43912, 35396}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{224438, 247291, 230523}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{340590, 363514, 343051}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{46711, 59013, 79017}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{978740, 1156113, 1260598}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{35224, 22907, 17451}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{47663, 25983, 33904}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{335734, 258196, 188283}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{31616, 41398, 49879}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{37114, 34182, 26159}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{82255, 86342, 84426}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{106756, 64062, 36925}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{559793, 399938, 280630}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{55167, 48658, 27157}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{61648, 32758, 19343}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{195300, 226568, 197168}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{151363, 143193, 89947}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1420248, 1219375, 1035197}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{74085, 52666, 45464}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{26948, 33712, 26125}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{52854, 44646, 50030}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{25610, 25579, 52651}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{1, 84427, 78079}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{1528848, 1118634, 810837}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{297619, 245206, 137612}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{71967, 42286, 18281}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{27721, 65046, 42383}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{119159, 93635, 63357}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{226840, 157931, 74309}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{25791, 18865, 16915}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{9660, 18528, 65807}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{44146, 61949, 69060}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{161551, 122807, 71738}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{50958, 37246, 30000}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{29962, 29087, 29528}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{185932, 122838, 104575}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{61938, 39794, 23270}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{49688, 54804, 54465}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{49265, 56461, 48422}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{664648, 546781, 348899}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{24237, 32745, 29907}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{126952, 130499, 111212}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{3635565, 4384253, 4165339}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{17737, 19710, 17423}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{14397, 17883, 20849}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{486566, 541168, 560708}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{945733, 1541030, 1408215}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{40616, 44445, 44989}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{60744, 49675, 34910}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{20966, 1, 26686}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{65141, 68738, 59502}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{99825, 107033, 86044}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.42*^7, 1.57*^7, 1.48*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{570622, 665296, 619492}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{34765, 43168, 49422}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1440824, 1549502, 1504619}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{93868, 116288, 109333}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{83431, 65578, 30590}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{36622, 28648, 30914}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{77585, 87472, 82242}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{53522, 71864, 69650}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1068421, 1216779, 1201475}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{112943, 130662, 123617}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{102660, 70334, 25440}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{1, 28624, 11721}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{15421, 15854, 13389}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{1, 1, 1}, {"Eicosanedioic acid [ C20 \
H38 O4, db=91.95, overall=92.64, mfg=93.33, Lipid ID=LMFA01170035, KEGG ID= \
]", ""}}, {481.3169, 13.590119, "Meta"} -> {{288788, 313807, 278691}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, overall=49.67, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {268.2041, 13.593537, "Meta"} -> 
    {{26192, 24176, 24059}, {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic \
acid [ C16 H28 O3, db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]"\
, ""}}, {326.2252, 13.593135, "Meta"} -> {{50987, 54541, 49443}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{688815, 565087, 405356}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{26977, 14317, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{675778, 464501, 365911}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{54902, 36693, 24699}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{14384, 20149, 15378}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{58427, 36912, 27205}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{65635, 53614, 23811}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{35330, 40728, 32147}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{61888, 32054, 23679}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{1812778, 1022637, 913094}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{367070, 231024, 212622}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{190183, 103155, 73814}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{390933, 236387, 206151}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{71445, 42065, 45436}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{160099, 91049, 103268}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{13223, 1, 1}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2692964, 1734816, 1474960}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{62700, 67396, 49441}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{36938, 1, 22220}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{24404, 29678, 22836}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{218442, 270269, 245959}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{319336, 385728, 400236}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{46613, 51528, 55974}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{43176, 29090, 23823}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{340539, 278191, 223503}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{142194, 111155, 90715}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{33457, 1, 27834}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{3.04*^7, 3.38*^7, 3.27*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{76835, 90318, 103204}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{72041, 82469, 90908}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{246502, 260640, 263540}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{149911, 158667, 138622}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{27687, 28222, 28439}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{151439, 156947, 181771}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{39622, 43055, 41125}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{81879, 89270, 85345}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{2008219, 2338778, 2321593}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{174642, 192990, 187210}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{1, 34016, 34740}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{184133, 183396, 193480}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{2200270, 2388940, 2398827}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{143007, 143318, 161404}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{1, 78745, 75659}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{49111, 43719, 38155}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{45912, 54924, 73429}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{22225, 24712, 1}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{410168, 366654, 328046}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{38191, 26336, 18276}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{23832, 35777, 1}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{47622, 72489, 44385}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{37381, 31936, 27981}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{676378, 636322, 636232}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{12210, 15141, 1}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{135168, 231568, 141862}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{103154, 94578, 95839}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{71679, 47790, 52121}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{57274, 62747, 64935}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{13724, 11252, 9421}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{172243, 150406, 127739}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1430862, 1236616, 1180159}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{23948, 1, 1}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{20552, 23021, 1}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, \
db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{74829, 64252, 75139}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{35184, 42671, 1}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{73434, 74820, 52776}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{2826887, 2596783, 2505331}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{41729, 50478, 53909}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{1, 1, 24641}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{361981, 362463, 305968}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{71635, 60491, 66747}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{59865, 44396, 24313}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{63942, 43114, 32438}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{40690, 1, 58313}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{33486, 29369, 28682}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{3299510, 3250964, 2932410}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{390016, 368874, 343006}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{53847, 55004, 53809}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{51220, 63373, 68076}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{36772, 57342, 54420}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{133237, 147150, 144451}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{57252, 29201, 31455}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{312864, 215951, 188323}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{466439, 550363, 566636}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{80993, 47967, 42970}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{119738, 92734, 84980}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{1, 42379, 46585}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{21815, 17796, 17704}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{493223, 458160, 405258}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{28958, 24238, 18627}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{102718, 53246, 41049}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{926443, 474365, 388096}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{25955, 22648, 54552}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{78835, 45839, 28762}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1527826, 1156241, 1102410}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{176382, 159739, 165147}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{8930187, 5294392, 4537280}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1594790, 1168097, 1105496}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{116832, 126568, 1}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{50519, 23664, 19579}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{241439, 153872, 131124}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{23555, 20501, 22418}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{340716, 147281, 133846}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{1, 87179, 78472}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{32448, 25141, 23304}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{111420, 154945, 128174}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{106507, 103149, 85063}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{59615, 71481, 56001}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1877782, 1620513, 1458144}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{28886, 16420, 12416}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{40044, 28442, 18516}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{61834, 58965, 70321}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{2019754, 2277850, 2153164}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{122462, 111481, 97659}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{98215, 74972, 57471}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{114372, 102537, 106237}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{28150, 28525, 30826}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{54410, 57232, 55820}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{30820, 29455, 23375}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{26010, 20959, 22827}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{111086, 110116, 89763}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{455075, 402987, 354278}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{207303, 259828, 271996}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{40626, 37797, 42007}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{30590, 26571, 32360}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1258090, 1169913, 1014305}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{4323925, 4042343, 3683977}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{132762, 128206, 138725}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{48979, 70896, 88599}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{683247, 774647, 736367}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{72469, 69699, 1}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{269542, 266553, 264347}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{107757, 117659, 102368}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{76443, 82776, 74113}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{31878, 46941, 37827}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{24087, 23978, 22543}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{40280, 40419, 31172}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{134348, 120559, 51144}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{469636, 524968, 493983}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.06*^7, 2.25*^7, 2.09*^7}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{235251, 262096, 260026}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{43752, 38118, 33832}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{740531, 788366, 799038}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{8947557, 9234181, 8762763}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{48472, 60129, 62596}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{128709, 132470, 130328}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{14491, 22135, 22671}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{316314, 370139, 321160}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{96990, 112876, 128296}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{417250, 418798, 420317}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{97556, 111557, 115779}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{24373, 24154, 18749}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{121903, 61977, 59201}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{60664, 65706, 68723}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{29406, 16268, 14403}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{112134, 138927, 139016}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{36397, 31980, 31262}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{141283, 126136, 104086}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{192185, 218822, 232944}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{788611, 748845, 707281}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2628939, 2588747, 2500179}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1483783, 1109860, 803799}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{253906, 248610, 213440}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{51930, 31812, 16775}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{260154, 256064, 273060}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{31987, 25840, 22634}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{1, 1, 1}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{2299554, 1815725, 1495972}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{89055, 55387, 60686}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{50890, 53041, 56828}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{97839, 70544, 57887}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{1059677, 830123, 631651}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{81867, 61778, 65494}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{355537, 280356, 303336}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{85651, 1, 70445}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{86688, 94182, 80198}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{82443, 99273, 89081}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{77365, 60079, 45854}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{1, 67709, 78439}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{206769, 18976, 251579}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{2087174, 2037607, 2052151}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{74493, 83305, 77933}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{183017, 153985, 160314}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{287020, 237276, 231510}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{2089362, 1972100, 1826172}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{270021, 39005, 264864}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{33591, 32769, 34671}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{98425, 93411, 86513}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{315018, 317209, 281930}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{80843, 71368, 81811}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{178255, 197436, 170134}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{186358, 202466, 96048}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{39245, 42708, 26300}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{2627990, 2662459, 2513721}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{745753, 819295, 606758}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{34288, 32546, 37795}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{27834, 32406, 34994}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{19682, 25252, 18513}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2654008, 2700225, 2690842}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{679978, 426229, 378479}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{30833, 37915, 23538}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{15983, 22188, 18017}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{23463, 29754, 20994}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{134676, 162702, 108598}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{42061, 45061, 27952}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{29405, 30191, 25568}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{33523, 43028, 27412}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{35991, 33314, 24421}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{253868, 253935, 241709}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{153235, 119543, 113920}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{1, 30623, 36765}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 1, 1}, {"(20S,22E)-3beta-Hydroxychol\
a-5,16,22-trien-24-oic Acid [ C24 H34 O3, db=52.75, overall=53.05, mfg=53.35, \
Lipid ID=, KEGG ID= ]", ""}}, {298.1319, 13.873515, "Meta"} -> 
    {{70820, 73195, 49109}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{1, 19338, 13924}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{1, 18995, 1}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{149508, 215665, 198079}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{1, 39888, 61941}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{32564, 49524, 38109}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{248371, 197052, 171127}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{155684, 155943, 146888}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{45856, 33123, 29041}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{20053, 1, 1}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{1, 35801, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{74265, 56466, 63514}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{214116, 226557, 225591}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{24264, 25303, 22039}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1763140, 1958539, 1829332}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{47542, 1, 44138}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{247508, 221817, 161599}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{36304, 41401, 43412}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{89534, 98842, 87006}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{26037, 17306, 12934}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{363778, 379357, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{76372, 93536, 74967}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{44000, 34470, 38989}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{45102, 46196, 40955}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{14318, 9609, 15106}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{131311, 122717, 75180}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{66882, 66186, 38118}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{217980, 274054, 213783}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{288625, 171375, 166274}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1042905, 633468, 577302}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{76585, 67980, 70303}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{208932, 166866, 125815}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{129714, 129196, 138939}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{602337, 649789, 622708}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{263286, 117769, 84349}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1180638, 712278, 642082}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{3444497, 3428754, 3314549}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{1, 1, 1}, {"Chenodeoxycholyltaurine [ \
C26 H45 N O6 S, db=89.43, overall=90.44, mfg=91.44, KEGG ID=, CAS ID=516-35-8 \
]", "516-35-8"}}, {853.6196, 13.9503355, "Meta"} -> 
    {{124269, 91743, 93873}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{181499, 159689, 148906}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{610033, 551339, 513392}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{40348, 26100, 21710}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{241877, 256850, 220874}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{51503, 49110, 44972}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{46846, 36893, 32434}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{235508, 226738, 200090}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{60971, 65031, 56669}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{38490, 24203, 18775}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{112573, 109878, 109991}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{787047, 681414, 767339}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{6.63*^7, 6.72*^7, 6.19*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{62318, 62938, 65706}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{101715, 94888, 100953}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{69720, 49272, 38060}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{26015, 28291, 22334}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{115499, 84681, 77449}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{76148, 54266, 43040}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{205697, 193689, 173512}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{42393, 47203, 44551}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{31730, 36329, 35972}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{1, 44450, 41356}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{46060, 54865, 57438}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{117432, 1, 125542}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{317126, 292596, 298655}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{65112, 71253, 72101}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3402304, 3467923, 3385466}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{23342, 20339, 22703}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{88882, 97268, 96711}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{1, 31103, 24179}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{43027, 1, 1}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{50045, 51399, 48572}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{20959, 22477, 23472}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{1, 34791, 1}, {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{30974, 37162, 38388}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{133661, 157675, 150302}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{111610, 112054, 109395}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{250766, 265328, 242960}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{57755, 76622, 59890}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{22252, 30842, 33701}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{73909, 77352, 81550}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{1, 47168, 51602}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{5090670, 5967144, 5835935}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{12062, 11941, 10390}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{924818, 913356, 961855}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{122359, 116202, 121431}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{528553, 205722, 189554}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{125193, 113250, 104188}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{198527, 193114, 214217}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{43403, 53398, 49789}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{44200, 46744, 49347}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{33205, 24026, 26657}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1781237, 1824507, 1576893}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{89601, 82769, 96444}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{152698, 123376, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{65484, 45465, 22679}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{39673, 10761, 1}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{386694, 358174, 327694}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{14478, 1, 1}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{70147, 61415, 44040}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{52929, 56102, 50794}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{99476, 73516, 66591}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{384675, 253056, 233787}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{102633, 247940, 98496}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{20747, 25235, 26293}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{819854, 505477, 485521}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{78642, 41940, 51696}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{2935774, 1681770, 2095738}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{115867, 84068, 74114}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{1, 51862, 1}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{330190, 350245, 351579}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{221336, 227177, 243289}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{1, 112069, 105600}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{154974, 78170, 57895}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{541030, 328561, 308849}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{719091, 436312, 411640}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{245607, 366803, 238125}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{56294, 40134, 39550}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{5081105, 3471063, 2695876}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{94169, 108294, 104708}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{38968, 41184, 39461}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{441021, 690563, 430595}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1031257, 417783, 1297422}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{350168, 322926, 273744}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{112637, 120912, 90260}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{115994, 101097, 71244}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1455032, 1488585, 1519499}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{715040, 752846, 761389}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{30794, 35449, 34049}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{51287, 36545, 28424}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{52835, 1, 74508}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{42844, 50723, 51992}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{81741, 82616, 82464}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{211947, 240290, 236155}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{41343, 55483, 53189}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{1.08*^8, 1, 1.06*^8}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{100366, 90472, 74533}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{27548, 27551, 28919}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{78220, 73188, 85562}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{80946, 71628, 71780}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{19825, 27798, 26506}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{54797, 57235, 53487}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{52495, 76656, 62205}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{19681, 23096, 21852}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{22350, 27961, 29467}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{156296, 151172, 150086}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{1, 65761, 55272}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{427730, 506965, 484704}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{167205, 225666, 112008}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{11650, 1, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{23719, 31259, 31449}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{10712, 15309, 16004}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{73491, 64100, 45423}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{97752, 1, 34446}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{275609, 270263, 235987}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2983491, 3098057, 3031681}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{57897, 62211, 60102}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{35219, 42557, 32724}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{20261, 30231, 21331}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{57323, 55020, 54359}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{470331, 511701, 473628}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{29573, 36782, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{28955, 27838, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{144752, 182823, 183189}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{16873, 17690, 16465}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{22620, 12446, 10864}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{178258, 443059, 203024}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{40865, 49986, 30859}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{1, 1, 12643}, {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{53760, 75504, 58758}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{1, 253195, 221120}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{27478, 31599, 30967}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{34042, 41959, 46004}, 
     {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", ""}}, 
   {356.2722, 14.132971, "Meta"} -> {{118105, 127098, 86277}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{38877, 475503, 469463}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{1.25*^7, 9791566, 9968977}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{67557, 67207, 60663}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{313323, 148787, 108964}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{115737, 138852, 135498}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{2140034, 1293803, 1134266}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{2.03*^7, 1.24*^7, 1.13*^7}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{25111, 27725, 34899}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1362890, 984434, 889642}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{129499, 105455, 103652}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{3923275, 2882312, 2575051}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{41587, 28055, 26983}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{114514, 95667, 75530}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{749704, 545600, 543289}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{1.04*^7, 7385694, 7449543}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{35413, 37495, 32543}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{72962, 81300, 62943}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{410286, 358295, 299822}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{513381, 547548, 495458}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{176825, 56791, 207588}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{143704, 115766, 107933}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{29139, 31159, 31688}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{41410, 45176, 45895}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{2797939, 2961293, 2737315}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{199311, 168325, 156963}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{26786, 36516, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{141618, 133275, 127724}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{58465, 238897, 200337}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{47244, 40715, 42316}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{34217, 18582, 28798}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{145025, 155278, 152554}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{1, 26900, 14398}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{24743, 32829, 31064}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1749388, 1359330, 1232449}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{853984, 960461, 864293}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{111364, 124450, 116100}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{67459, 71846, 83977}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{116042, 74833, 83044}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{3045025, 3295154, 3057165}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{153447, 140682, 178584}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{61659, 47271, 51149}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3829784, 4176301, 3754529}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{1, 21715, 27899}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=95.01, \
overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {516.328, 14.181401, "Meta"} -> {{120289, 102525, 127584}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{12765, 1, 13950}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{57906, 75791, 56249}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{353211, 369163, 355580}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{237126, 204210, 220568}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{15439, 17860, 18975}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{168934, 149730, 137404}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{50216, 47272, 56089}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{118036, 135845, 136940}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{39269, 30870, 32754}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{43988, 37010, 36924}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{391182, 320404, 396186}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{276028, 265287, 245220}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{133018, 88682, 103381}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{38905, 56452, 1}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{128424, 117374, 93020}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{48154, 59851, 49495}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{49103, 59658, 66672}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{304882, 192394, 178447}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{57979, 57890, 62164}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{98619, 100387, 98043}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{5167238, 4794781, 4437978}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{216719, 213006, 199159}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{68669, 66067, 65571}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{653963, 624368, 550366}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{23171, 30012, 34368}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{300358, 451251, 449566}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{138664, 1, 237507}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic \
acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= ]"\
, ""}}, {350.282, 14.253435, "Meta"} -> {{17540, 15208, 15181}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{68673, 1, 65967}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{4046145, 4859185, 4223772}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{1, 1, 116397}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{38793, 70028, 47021}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{25761, 31027, 33578}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{24967, 67354, 56450}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{411416, 1123636, 411189}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{58319, 1, 76507}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{35190, 34465, 31655}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{88972, 88583, 73949}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{1, 46998, 29936}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{1445232, 1359915, 1145765}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{54626, 61021, 67736}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{433164, 420422, 395359}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{1, 35546, 26711}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{78357, 75645, 85687}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{418946, 441782, 366694}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{59047, 56467, 50213}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{41478, 1, 44550}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{3377266, 3884915, 3488900}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{159155, 173143, 167136}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{69582, 60809, 61593}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2136241, 3323222, 1964354}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{19025, 1, 1}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{267607, 209131, 199819}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{28879, 41560, 39023}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{43844, 42892, 36994}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{44004, 39573, 28056}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{1, 356156, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{1, 18045, 1}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{309215, 1, 367494}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{372367, 437849, 357314}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{4069697, 4613502, 4119955}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{23526, 25592, 19188}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{52228, 34334, 35278}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{457911, 469031, 430013}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{29936, 1, 33134}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{270686, 241346, 215824}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{37930, 42063, 52564}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{411418, 229658, 314604}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{171769, 132251, 117225}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{68436, 78183, 24029}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{2456767, 1643339, 1}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{99653, 46193, 38426}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{81305, 81506, 71300}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{356376, 365701, 306803}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{878228, 1072348, 883919}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{36102, 50870, 44136}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{188736, 172615, 152302}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{169983, 227538, 212554}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{115462, 95621, 118987}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{34841, 30162, 28762}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{302285, 302053, 239542}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{14466, 13113, 12951}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{130084, 95166, 67774}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{31245, 34799, 25454}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{168076, 170097, 163588}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{26639, 29021, 26663}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{834997, 837253, 799415}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{27381, 27991, 23365}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{83308, 80852, 81061}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{397484, 430468, 372594}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{74137, 75673, 77604}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{4.57*^7, 4.45*^7, 4.09*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{68420, 75189, 75383}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{44642, 51537, 55043}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{111239, 110774, 110546}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{36116, 37810, 33789}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{147799, 136529, 120900}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{48743, 49733, 52629}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2464743, 2217956, 2247972}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{39695, 25667, 20501}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{93848, 123160, 107053}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{264924, 271974, 288178}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{405204, 431157, 388112}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{864188, 946445, 864304}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{61405, 80757, 73378}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1843352, 2039682, 2173473}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{224385, 221060, 182232}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{43866, 88951, 11100}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{943069, 1032253, 893160}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{285705, 291537, 242380}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{277554, 280783, 279778}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{611403, 624587, 507903}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{30155, 32339, 30160}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{50639, 66021, 73521}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{1679036, 237036, 245696}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{61478, 99912, 63167}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{387050, 399248, 308378}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{30111, 96220, 62341}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{27568, 27705, 1}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{228391, 287572, 224663}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{1386133, 1506695, 1324384}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{668218, 351941, 583712}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{31355, 36094, 24275}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{5597975, 1, 3839255}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", 
      ""}}, {586.4238, 14.4598675, "Meta"} -> {{43012, 39027, 35940}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{1, 16338, 1}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{65997, 66065, 60900}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{48977, 1, 1}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{1, 37348, 23091}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{1177473, 1313819, 1183595}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{65200, 67326, 60800}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{13019, 1, 15097}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{148429, 143547, 121872}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{133485, 156848, 136650}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{246428, 289627, 152260}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{169402, 1, 1}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{1, 1320796, 1085207}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{27408, 1, 33354}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{1, 612618, 539861}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{110848, 68433, 41611}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{886436, 1015089, 860224}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{292405, 279862, 245613}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{40635, 1, 15157}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{217585, 184900, 162085}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{125140, 68910, 47378}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{251202, 164934, 147805}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{537182, 321299, 337153}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{871761, 943761, 772663}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{283489, 303187, 270658}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{345048, 351575, 300709}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{39441, 19952, 1}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{42016, 1, 30737}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{64653, 65590, 58490}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{17505, 38677, 35544}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{366132, 461389, 354800}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{22226, 22815, 16182}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{304663, 386811, 251043}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1, 543182, 397006}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{190821, 229396, 184147}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{126739, 135990, 104678}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{178745, 198692, 178565}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{139185, 132482, 105384}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{33876, 33139, 30067}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{190767, 192519, 180625}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{144097, 128548, 105765}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{1, 30261, 20547}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1305594, 1419804, 1302223}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{356997, 299353, 305817}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{92356, 72991, 65901}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{908112, 873827, 724062}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{78597, 63548, 67129}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{158202, 128232, 108474}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{636119, 543761, 507994}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{1, 1, 1}, {"17-oxo-20Z-hexacosenoic acid \
[ C26 H48 O3, db=62.40, overall=62.48, mfg=62.57, Lipid ID=, KEGG ID= ]", 
      ""}}, {310.1815, 14.585141, "Meta"} -> {{278098, 238369, 216204}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{135001, 111103, 114135}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{208849, 174405, 171243}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{172778, 163012, 124392}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{94649, 76577, 64420}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{34619, 42569, 29574}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{29828, 27333, 26416}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{80794, 71027, 54070}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{2.11*^7, 2.02*^7, 1.95*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{88012, 55695, 130389}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{16956, 14577, 1}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{106343, 100726, 80243}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{1, 1, 1}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{52812, 43531, 41180}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{157904, 82416, 1}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{37103, 33852, 30920}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{30431, 28254, 23904}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{129671, 126449, 86928}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{119463, 115626, 213721}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{122972, 115735, 102444}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{55918, 64493, 34817}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1436665, 1476807, 1194073}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 1, 427130}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{176883, 1, 139989}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{299527, 386968, 300766}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{111564, 71070, 65091}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{526117, 457205, 425721}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1323219, 1286906, 1127441}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{49478, 69152, 52635}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{38384, 29405, 28961}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{74250, 64392, 54135}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{328493, 295588, 270858}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{144859, 44673, 38923}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{1, 1, 1}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{443541, 421675, 382585}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{48739, 44753, 45923}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{79332, 66474, 60471}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{39986, 31935, 20900}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{19033, 21866, 17408}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{441532, 364461, 344955}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{46286, 41739, 33675}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{66457, 52629, 1}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{108124, 106606, 94702}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{103309, 102458, 82529}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{165671, 150830, 144586}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{60798, 52806, 46916}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{90502, 1, 45592}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{49278, 41669, 37764}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{1.51*^7, 1.63*^7, 1.31*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{76565, 81300, 58433}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{46627, 43805, 38302}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{59040, 55440, 48275}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{37936, 45782, 55824}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{358224, 340107, 314465}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{258053, 1, 304556}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{51512, 32730, 23664}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{94634, 110992, 90101}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1039257, 1019410, 925448}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{55870, 55548, 45446}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{850570, 851909, 924127}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{509409, 526744, 451706}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{76523, 79099, 119251}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{196573, 139311, 132004}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{87863, 54695, 48522}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{1270902, 1159875, 1071231}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{211207, 179658, 193055}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{121214, 113015, 108546}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{69651, 67244, 45753}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{179979, 189258, 165396}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{81830, 71245, 64227}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{191114, 152610, 265293}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{76555, 88655, 82134}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{57214, 62958, 1}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{2456150, 1786776, 1635295}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{875519, 838707, 746306}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{25441, 30814, 26265}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{218829, 177210, 155064}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{239703, 216265, 189163}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{87392, 80193, 69844}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{480905, 434641, 386348}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{115018, 113543, 87105}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{51223, 69706, 57387}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{148977, 138151, 152183}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{98472, 113915, 85724}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{105498, 82798, 77144}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{134261, 117769, 95646}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{111919, 94463, 97372}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{56512, 64776, 46121}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{442413, 472231, 257417}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5be\
ta-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{1, 64324, 32266}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{112575, 115577, 94295}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{557107, 562223, 569055}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{137440, 88544, 78969}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{711948, 680321, 676987}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{126513, 102604, 83576}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{548963, 286823, 178735}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{66054, 66079, 63057}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{57532, 57079, 76612}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{43060, 43161, 42879}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{233350, 268973, 254227}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{52090, 52287, 44150}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{228251, 210415, 179627}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{29252, 27528, 29665}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{48358, 45984, 46500}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{70144, 63996, 67374}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2209731, 2093030, 2008152}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{18017, 22678, 24147}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{276667, 160963, 170402}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{50120, 48075, 42548}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{49482, 45150, 35114}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{39177, 34688, 37044}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{56456, 38413, 59345}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{180644, 177573, 168443}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{83321, 75652, 70556}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{199217, 198078, 181613}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{253734, 280552, 314773}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{113900, 111203, 117380}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{241874, 196170, 233006}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{269419, 246662, 215358}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2722968, 2611275, 2515235}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{46084, 43689, 42258}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{24353, 23845, 18489}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{92915, 93361, 74911}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{271293, 288064, 302265}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{174752, 156382, 148702}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{1581465, 1635344, 1598238}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{1, 1, 1}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{70643, 60573, 52250}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{13726, 15788, 14185}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{43381, 40988, 45139}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{61682, 59818, 47018}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{111612, 121264, 100041}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{99368, 94977, 80430}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{147609, 154823, 116764}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{720570, 683118, 585664}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{23845, 23945, 16720}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{31434, 38070, 38377}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{1027255, 986910, 930132}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{189750, 176375, 153122}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{132697, 134849, 138982}, 
     {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", ""}}, 
   {552.4757, 14.950529, "Meta"} -> {{139326, 138814, 125289}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{26259, 22899, 24736}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{56133, 54079, 50597}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> 
    {{1, 1, 1}, {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", 
      ""}}, {476.3871, 14.971923, "Meta"} -> {{104846, 90003, 80330}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{691325, 235816, 199444}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{23025, 22960, 20293}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{112395, 104871, 88667}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{29399, 31055, 33590}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{60225, 47900, 43393}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{802172, 731651, 662986}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{328138, 442270, 418201}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{16608, 19866, 21681}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{62947, 48941, 43805}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{195756, 193321, 176443}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{65160, 61671, 63282}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{497520, 640367, 490208}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{30089, 24570, 24768}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{209491, 199808, 192889}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{30005, 15890, 12249}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{678047, 415983, 272677}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{60433, 47870, 65014}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{1341304, 1294061, 1178269}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{46604, 42182, 28553}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1876946, 935919, 479065}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{78259, 77751, 74157}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{276209, 247132, 209997}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{126015, 114811, 114699}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{782763, 734508, 647344}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{46484, 43723, 35979}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{3764431, 3444448, 2877040}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{106491, 124481, 91604}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{35751, 31887, 22755}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{106246, 66063, 41176}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{54358, 55082, 45149}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{463667, 457438, 411266}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{120582, 108433, 1}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{111789, 99622, 160425}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{45758, 46649, 45977}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{69279, 47433, 28934}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3885479, 4128003, 4165875}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{1, 71098, 74501}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{57780, 1, 35623}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{86990, 72156, 67412}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{1, 1, 67766}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{44565, 43253, 47785}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{61161, 59091, 64642}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{1, 1, 1}, {"Lithocholic acid taurine \
conjugate [ C26 H45 N O5 S, db=94.31, overall=94.51, mfg=94.71, HMP \
ID=HMDB00722, KEGG ID= ]", ""}}, {560.4804, 15.112883, "Meta"} -> 
    {{581995, 448397, 465255}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{40947, 51372, 52735}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{34389, 27613, 25332}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{68577, 68258, 58294}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{84389, 107256, 100682}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{116680, 99228, 92765}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{38260, 40737, 33466}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{80136, 104604, 101031}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{194286, 149246, 134167}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{33073, 34490, 36631}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{249632, 220698, 171608}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1608623, 1696674, 1653895}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{437930, 484535, 366752}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{63437, 86794, 107136}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{50559, 63615, 70554}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2792824, 1549816, 629144}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{56433, 56978, 50386}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{3130516, 2840579, 2238841}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{2549571, 2982115, 3331842}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{439812, 401697, 354303}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{82333, 66495, 63674}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{41795, 36322, 34225}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{257982, 163672, 100802}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.34*^7, 1.19*^7, 7589478}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{83101, 75125, 64069}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{1, 1, 12524}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{25333, 19666, 24573}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{203824, 190362, 157363}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{50453, 59359, 78682}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{137130, 113713, 90098}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{76625, 80094, 68045}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{516861, 478070, 379257}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{60962, 52785, 42628}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{91667, 103891, 133310}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{41193, 41200, 36715}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{208535, 601335, 338730}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{173581, 131822, 121106}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{51020, 50685, 55345}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{115344, 112589, 95338}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{220890, 239294, 232710}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{100090, 79764, 50709}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.09*^7, 9831888, 8108986}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{233325, 244994, 225810}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{5583253, 4579272, 3807676}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{37845, 28103, 15000}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{262069, 263591, 276797}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{32309, 18715, 21678}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{97644, 88113, 82451}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{1, 46415, 35818}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{23108, 28211, 30570}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{73175, 60642, 58898}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{32110, 1, 1}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{2904013, 1, 2644014}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{33443, 35246, 40252}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{255888, 284431, 208613}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{41934, 57024, 49660}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1137800, 945264, 782150}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{33739, 53415, 64294}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{7216533, 8952522, 7657044}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{733624, 623237, 591481}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{117892, 112881, 94898}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{141911, 162398, 150393}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{298678, 261719, 261039}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{34453, 32710, 25368}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{20799, 34501, 44791}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{41911, 33040, 30984}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{250493, 263963, 238276}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{32695, 31483, 25703}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{49354, 51559, 1}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{602773, 541136, 526817}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{1, 33819, 1}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1363722, 1297794, 1297932}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{5575881, 5433209, 4755321}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{41457, 51738, 62586}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{612593, 584692, 471925}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{103242, 91267, 80372}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{874559, 794524, 710258}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{240492, 214120, 185701}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2778870, 2655231, 2643926}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{26482, 30009, 23828}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5203271, 5025140, 3942466}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1232648, 1215431, 973716}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{226224, 198542, 166700}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{155023, 150749, 127456}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{66378, 59969, 1}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{108940, 112131, 103684}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{17607, 15722, 15715}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{482747, 427957, 384874}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{654302, 519093, 445339}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{48459, 40778, 34894}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{69858, 67679, 58641}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{330659, 306076, 262164}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{1949923, 1644508, 1393209}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{74453, 71969, 62618}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{944814, 797380, 679788}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{34130, 52118, 34443}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1119922, 1010650, 1017548}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{123046, 132327, 100020}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{156063, 164931, 172760}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{139300, 142804, 144749}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{27034, 27185, 23180}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{302577, 287154, 219213}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{83721, 82444, 91634}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{50550, 29528, 34140}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{75003, 80413, 90993}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{188358, 172603, 157691}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{1603668, 1507402, 1293039}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{101904, 84648, 72667}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{2041180, 1939784, 1926629}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{156990, 134726, 114535}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{5238094, 5509166, 4385541}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{23476, 22452, 23333}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{36249, 36260, 26533}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{156237, 140472, 117665}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{961660, 899020, 781470}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{106309, 73039, 67082}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{63509, 39237, 36477}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{748208, 663673, 573319}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{923820, 866307, 830895}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{21709, 20953, 18173}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{163865, 130577, 105953}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{78199, 68250, 57990}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2875598, 2561187, 2495944}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{283455, 187649, 171825}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{45631, 41236, 37115}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{111503, 70555, 63640}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{144723, 139500, 112664}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{452022, 498547, 479530}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{125570, 135137, 129151}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{422734, 258271, 235260}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{134386, 181954, 115034}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{162694, 146877, 146903}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{109567, 105235, 72604}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{159968, 152987, 126006}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{100675, 87808, 79227}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{277150, 241504, 189641}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{100258, 109705, 113527}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1186422, 998387, 982440}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{199055, 175095, 183861}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{206959, 115667, 126309}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{101748, 67207, 1}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{33024, 35543, 41496}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{305493, 273833, 178549}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{64942, 70118, 72890}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{53109, 56276, 45027}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{400347, 335193, 315295}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{38201, 48597, 41519}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{255544, 294097, 270192}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{96575, 135125, 122901}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{17383, 17266, 15863}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{54914, 60016, 62347}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{468798, 491196, 443011}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{29307, 31092, 25932}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{634157, 606118, 492840}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{367434, 250788, 211755}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{21976, 14334, 16021}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{70831, 63595, 55183}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{62355, 54623, 51795}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{561409, 344917, 327038}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{28042, 17941, 16451}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{36684, 19150, 19657}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{1993270, 1612306, 1566164}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{157062, 131805, 102486}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{355353, 322239, 256294}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1708797, 1720671, 1691912}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 1, 198222}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{40170, 30125, 30534}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{114077, 105880, 88710}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{207902, 184962, 1}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{509390, 482851, 351827}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{34864, 47042, 28624}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{256170, 237633, 189307}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{452234, 344313, 380151}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{130664, 151601, 141979}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{1, 141627, 156261}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{734044, 336228, 419759}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{316601, 276327, 231481}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{219404, 209082, 213833}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{54830, 34875, 37491}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{713976, 745450, 592051}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{30568, 54719, 45046}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{93863, 54519, 60320}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{162920, 174986, 152748}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{115404, 90917, 86147}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{124937, 104970, 98025}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{100000, 94276, 85790}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{376973, 344873, 333206}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{347294, 287502, 307205}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{84807, 75647, 82323}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{66576, 67945, 66286}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{350358, 307442, 317681}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{25094, 24927, 23691}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{1092692, 887312, 577387}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{329188, 342833, 300559}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{40147, 33946, 33542}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{3175700, 3508811, 1728140}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{149115, 63669, 79640}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{905774, 394455, 533893}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{88243, 96227, 83814}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{141887, 72113, 89978}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{302645, 290808, 251886}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{111838, 95138, 81379}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{33294, 33313, 25102}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{579274, 520369, 488793}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{1, 1, 1}, {"Desmethyldehydroamlodipine \
[ C19 H21 Cl N2 O5, db=56.48, overall=56.48, mfg=56.48, KEGG ID=, CAS \
ID=113994-38-0 ]", "113994-38-0"}}, {2826.1416, 0.36848277, "Meta"} -> 
    {{24321, 28424, 23189}, {"", ""}}, {1940.0839, 0.37066662, "Meta"} -> 
    {{21940, 21806, 19528}, {"", ""}}, {2104.0918, 0.37090003, "Meta"} -> 
    {{21968, 21466, 20634}, {"", ""}}, {2268.0967, 0.37051854, "Meta"} -> 
    {{22329, 21317, 19206}, {"", ""}}, {1776.0778, 0.37057692, "Meta"} -> 
    {{17555, 13832, 14725}, {"", ""}}, {2186.0952, 0.37076664, "Meta"} -> 
    {{21255, 24510, 19073}, {"", ""}}, {1224.0387, 0.37313792, "Meta"} -> 
    {{1, 10513, 13694}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{194255, 1, 145065}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{231644, 229799, 212148}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{252864, 201877, 168801}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{300621, 338719, 278931}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{26580, 35848, 27238}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{251858, 299442, 305304}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{84440, 44807, 1}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{1, 1, 1}, {"Inosine [ C10 H12 N4 O5, \
db=61.70, overall=54.14, mfg=61.56, KEGG ID=C00294, CAS ID=58-63-9 ]", 
      "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{20556, 24833, 1}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{30119, 45219, 24096}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{103042, 130907, 112810}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{216907, 1, 1}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{329067, 773747, 695757}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{244041, 270194, 265915}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{67650, 62896, 1}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{1, 1, 1}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{81439, 95571, 70813}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{220378, 246659, 209007}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{1, 1, 17618}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{32748, 27442, 27736}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{16087, 23150, 26310}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{27412, 32180, 27619}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{1, 1, 1}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{20524, 20004, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{1, 52672, 41119}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{252181, 1, 216127}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{25821, 14179, 34039}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{1, 36566, 1}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{95438, 113340, 95750}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{1, 13027, 1}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{13153, 1, 15351}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{18109, 24083, 18467}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{16653, 16185, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{1, 1, 1}, {"(23R)-1alpha,23,25-trihydro\
xy-24-oxovitamin D3 / (23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ \
C27 H42 O5, db=74.04, overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG \
ID= ]", ""}}, {529.1844, 12.800125, "Meta"} -> {{25794, 20584, 16051}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 13278, 17428}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{42821, 27892, 54880}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{12309, 17802, 14347}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{65933, 75403, 119152}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{1, 1, 29374}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{492990, 460138, 1}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{43230, 28010, 44057}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{103950, 113383, 1}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{167985, 136967, 116430}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{32170, 30353, 29344}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{142560, 176858, 1}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{105687, 93779, 91312}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{1, 15571, 20750}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{67348, 74507, 75436}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{51431, 40847, 35200}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{94091, 93725, 83799}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{31294, 34915, 33987}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{1, 39257, 37936}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{34263, 50311, 38116}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{1, 23457, 25958}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{1, 9929, 1}, {"Docosanedioic acid [ C22 \
H42 O4, db=91.02, overall=91.73, mfg=92.45, Lipid ID=LMFA01170037, KEGG ID= \
]", ""}}, {376.2806, 13.9918785, "Meta"} -> {{177351, 56118, 89087}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{68790, 70954, 71300}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{14579, 18236, 21387}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{1, 1, 1}, {"(5E)-1alpha-hydroxy-3-epivi\
tamin D_3 / (5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{291197, 348517, 340352}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{145873, 131480, 175057}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{13858, 16749, 16317}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{22384, 26295, 25955}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{156863, 127802, 103118}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{205061, 1, 155622}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{1008486, 882119, 835525}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{58613, 70720, 90511}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{89674, 1, 1}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1, 596825, 531645}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{112748, 1, 67706}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{141506, 96650, 97293}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{83965, 65904, 66762}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{77167, 71381, 89376}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{1, 26749, 40825}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{1, 46291, 61404}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{373840, 1, 1}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{44983, 80985, 32506}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{78371, 119857, 128378}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{90173, 87723, 75481}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{68156, 59970, 69190}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{256621, 272817, 263464}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{40871, 46798, 44414}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{134876, 146563, 140724}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{653650, 775243, 472613}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{44976, 47892, 1}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 114854, 98126}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{1, 1, 1}, {"Salicyluric acid [ C9 H9 N \
O4, db=86.98, overall=87.14, mfg=87.30, KEGG ID=C07588, CAS ID=487-54-7 ]", 
      "487-54-7"}}, {204.0091, 2.5348845, "Meta"} -> 
    {{1, 1, 33807}, {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", 
      ""}}, {556.8784, 7.0970006, "Meta"} -> {{1, 364278, 124236}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{85594, 78960, 72813}, 
     {"9-hydroxy-5Z-nonenoic acid [ C9 H16 O3, db=65.72, overall=66.15, \
mfg=66.58, Lipid ID=, KEGG ID= ]", ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{61200, 68030, 56610}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{44627, 46450, 41128}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{1, 1, 1}, {"3-methyl-tetradecanedioic \
acid [ C15 H28 O4, db=70.45, overall=70.49, mfg=70.53, Lipid ID=, KEGG ID= ]"\
, ""}}, {314.2458, 13.07264, "Meta"} -> {{1, 16539, 1}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=91.63, overall=92.33, mfg=46.83, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {488.2986, 13.193373, "Meta"} -> 
    {{44767, 63373, 72270}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{66399, 1, 22267}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{52714, 40026, 48735}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{158879, 137869, 169549}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{60025, 61311, 56630}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{1, 1, 21616}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{32463, 1, 33193}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{54783, 57930, 1}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{29413, 48281, 1}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{104617, 48893, 1}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{161358, 1, 162896}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{1, 1, 150695}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{1, 1, 225373}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{50251, 47019, 64409}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 22903, 1}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{21713, 20888, 22770}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{26470, 44268, 1}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 113286, 122416}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "19" -> <|{457.0024, 0.34764, "Meta"} -> {{15606, 1, 15399}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{26916, 22507, 18280}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{14351, 13117, 12621}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{11115, 11133, 1}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{18280, 18334, 15072}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{62360, 56840, 48768}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{40319, 33033, 32272}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{35003, 19607, 22438}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{1, 1, 12743}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{20039, 15080, 17082}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{11178, 10855, 1}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{16916, 16894, 17202}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{20119, 16570, 1}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{9262, 1, 8393}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{18351, 17353, 19938}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{33293, 37622, 38407}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{62135, 58631, 57345}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{17046, 18793, 16923}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{79082, 77637, 75776}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{63920, 67574, 70893}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{55012, 58958, 54481}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{81925, 77249, 77395}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{50498, 48002, 48352}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{732372, 693425, 576982}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{17829, 17189, 17988}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{110189, 105199, 104035}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{64312, 56279, 53275}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{154378, 150619, 147487}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{82046, 80872, 79511}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{19491, 21133, 19384}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{310372, 293370, 286726}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{22233, 22970, 1}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{218216, 202100, 201436}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{36050, 32008, 34572}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{1, 1, 393170}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{33373, 39422, 31539}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{816347, 784941, 770677}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{520250, 486705, 462874}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{929341, 885744, 869544}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{28372, 26678, 27602}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1482029, 1401703, 1398002}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1704784, 1630623, 1557480}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1167438, 1134253, 1094659}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1309426, 1283958, 1252921}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{20756, 22244, 19729}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{689905, 688172, 693350}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{70991, 67403, 63032}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3739390, 3462590, 2986832}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{54054, 48224, 49348}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{82036, 79596, 79114}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{57411, 62570, 56397}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{23231, 20094, 20704}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{77055, 75322, 72406}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{40530, 38956, 37120}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{79751, 79722, 78588}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{59627, 59790, 54016}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{16041, 1, 12416}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{1, 1, 1}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{16350, 1, 1}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{1, 13008, 12675}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{191524, 206181, 197321}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{732902, 687103, 676886}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{176578, 172607, 152704}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{155667, 147684, 138987}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{128871, 121806, 117780}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{34067, 23413, 37531}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{1, 1, 47049}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{1, 83814, 100699}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{386860, 320794, 296994}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{1, 82009, 83719}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{361580, 327695, 336925}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{1, 110076, 1}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{130302, 108830, 112571}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{198737, 197070, 188571}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{22696, 33997, 30768}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{30145, 29762, 25539}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{93613, 91040, 93547}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{71486, 72840, 1}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{150448, 140563, 135561}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{96703, 86597, 90456}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1570518, 1549404, 1524393}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{147261, 137268, 136349}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{63112, 59140, 62280}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{1, 150046, 1}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{9349278, 9162548, 9073902}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{1, 113215, 129427}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{157096, 158566, 152523}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{18277, 1, 1}, {"Quinic acid [ C7 H12 O6, db=80.18, overall=81.10, \
mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{60156, 61575, 52598}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{45064, 74810, 1}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{158626, 110135, 160468}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{1, 123785, 177712}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{265009, 293899, 433554}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{56239, 56275, 72715}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{252549, 285755, 472941}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{1, 1, 242157}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{821694, 865681, 985424}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{1, 262974, 217324}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{1794638, 1709632, 1355418}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{45161, 23252, 40048}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{213796, 190822, 200291}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{40548, 168077, 174075}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{642359, 544856, 553426}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{178390, 132655, 129836}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{35060, 1, 34563}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{107892, 82512, 87473}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{134865, 106361, 105823}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{1, 29094, 23047}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{542610, 385212, 383190}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{32911, 21556, 22161}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{184297, 212366, 1}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{40141, 26699, 39303}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{6185465, 7443088, 8065904}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{94053, 80957, 89429}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{201435, 173103, 178117}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{445430, 517775, 638385}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{105238, 81601, 113139}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{43700, 42287, 63048}, 
     {"Tyrosine [ C9 H11 N O3, db=84.05, overall=84.06, mfg=84.07, KEGG \
ID=C00082, CAS ID=60-18-4 ]", "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{248020, 226059, 237783}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{1, 1, 233077}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{45796, 36760, 21411}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2177846, 1979250, 1638867}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{75833, 65015, 67329}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{154491, 137066, 1}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{448469, 389628, 540926}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{18685, 39711, 40261}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{1, 59709, 60676}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{1, 111488, 109519}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{115913, 111636, 141040}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{38175, 46037, 41354}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{19683, 20553, 20636}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{101000, 84723, 89001}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{6772731, 1.14*^7, 1.19*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{23458, 26179, 26869}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{416481, 531473, 494515}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{500059, 498707, 484346}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{55090, 40799, 38687}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{128600, 84078, 93559}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{27804, 34573, 32193}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{919929, 733366, 786790}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{224601, 141860, 206061}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{25987, 26844, 27462}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{28211, 23133, 25354}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{31358, 30077, 28650}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{27797, 27413, 31781}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{25729, 16155, 18812}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{113073, 72659, 83154}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{46708, 35256, 34969}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{26923, 26838, 17980}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{39093, 29227, 34687}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{167312, 144988, 219956}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{33292, 35988, 29766}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{79823, 89361, 67736}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{58840, 1, 1}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{289178, 287876, 301264}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{197329, 208169, 205313}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{215854, 198632, 192841}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{116964, 112948, 104466}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{1, 184116, 1}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{88817, 1, 86877}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{1, 29053, 1}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{1, 41315, 40905}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{183553, 220813, 238025}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{67644, 1, 57368}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{294722, 291088, 241638}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{272963, 229870, 204656}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{3992919, 3952370, 3848350}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{87866, 1, 93061}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{1, 63009, 33024}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{53948, 42585, 1}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{2624292, 2177273, 2221779}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{158002, 1, 138399}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{62590, 43055, 47029}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{56556, 23719, 35129}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{9838362, 8665513, 8996415}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{170444, 105519, 161791}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{759754, 1, 720571}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{505278, 416929, 431165}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{25953, 1, 1}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{1, 1, 174781}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{241842, 181122, 204258}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{5394244, 4225332, 4481387}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{227077, 203047, 201957}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 \
O4, db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{112181, 85322, 78982}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{1, 36096, 32455}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{4476712, 3682300, 3293167}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{244757, 204752, 181075}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{1, 1, 241428}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{146586, 1, 107890}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{243433, 197660, 218190}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{43899, 35379, 49866}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{4.03*^7, 3.26*^7, 3.55*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1023600, 888920, 910061}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{519730, 853966, 1013403}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{171659, 147633, 201837}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{99385, 1, 102068}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{72325, 1, 1}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{128004, 109878, 131804}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{74068, 67796, 76330}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{1399143, 1218051, 1409344}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{595581, 345794, 194132}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{55368, 45257, 49188}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{1, 1, 1}, {"Ecgonine [ C9 H15 N O3, \
db=74.71, overall=76.58, mfg=78.45, KEGG ID=, CAS ID=481-37-8 ]", 
      "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{1, 1, 1}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, overall=81.82, \
mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{1, 1, 1}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{42755, 1, 41046}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{12218, 10028, 1}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{217624, 174816, 195131}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 67780, 123645}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{597011, 412232, 351893}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{121676, 77258, 69829}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{90649, 67533, 54919}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{74818, 66929, 68610}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{59416, 41799, 50092}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{1, 1, 16031}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{953316, 797927, 910776}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{103236, 100182, 101929}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{31456, 27715, 28066}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{1, 1, 1}, {"Nimodipine [ C21 H26 N2 O7, \
db=72.80, overall=74.28, mfg=75.75, KEGG ID=C07267, CAS ID=66085-59-4 ]", 
      "66085-59-4"}}, {145.0528, 5.719285, "Meta"} -> 
    {{74860, 53322, 76459}, {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, \
overall=71.62, mfg=72.84, KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, 
   {188.105, 5.770749, "Meta"} -> {{91106, 82549, 93036}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, overall=91.17, mfg=91.49, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{24975, 20930, 26788}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{1, 1, 1}, {"2-Propylglutaric acid [ C8 \
H14 O4, db=86.38, overall=86.39, mfg=86.41, KEGG ID=, CAS ID=32806-62-5 ]", 
      "32806-62-5"}}, {1076.5266, 6.2318325, "Meta"} -> 
    {{53204, 43100, 51367}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{27220, 32945, 24536}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{163930, 163787, 129320}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{158305, 164448, 187149}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{37525, 29065, 33125}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{151465, 129358, 155649}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{13039, 1, 18459}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{43084, 38095, 43341}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{223894, 204287, 218464}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{259117, 199691, 244323}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{41784, 40507, 30274}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> 
    {{1, 1, 1}, {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", 
      ""}}, {189.0791, 6.9656115, "Meta"} -> {{334528, 253113, 260383}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{28023, 23352, 24345}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{1261098, 1034121, 1134748}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{38031, 29959, 34116}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{107558, 94131, 119626}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{25638, 43012, 1}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{154737, 484647, 129419}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{19431, 29896, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{87706, 287218, 41409}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{96460, 69837, 12418}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{63427, 113584, 68583}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{49663, 89561, 46401}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{8519142, 1.85*^7, 7415195}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{1, 43852, 23147}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{55109, 123701, 1}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{31539, 56099, 26965}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{1034377, 871267, 960148}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{38208, 33402, 35621}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{31944, 20159, 30289}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{48672, 1, 44060}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{62383, 51138, 58367}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{26253, 27773, 31375}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{1, 1, 1}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{414756, 352644, 380108}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{41807, 18860, 52444}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{118268, 95965, 107845}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{131947, 123422, 119132}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{139580, 105969, 133249}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{50345, 36553, 46326}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{30355, 1, 26291}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{1, 1, 1}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{353452, 303672, 323238}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{39695, 30816, 31588}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{33332, 25032, 27033}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{64926, 46435, 81651}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{384202, 237035, 421733}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{1, 41008, 47558}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{24229, 19277, 21319}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{26374, 20147, 21648}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{1, 1, 1}, {"2,5-Dimethoxycinnamic acid [ \
C11 H12 O4, db=94.36, overall=95.12, mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]"\
, ""}}, {318.1222, 8.119849, "Meta"} -> {{37416, 30237, 37824}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{1638829, 1457185, 1388455}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{40899, 36134, 38901}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{108047, 82713, 108759}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{462783, 388194, 435022}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{1, 1, 1}, {"6,9-dioxo-decanoic acid [ \
C10 H16 O4, db=85.88, overall=86.35, mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, 
   {658.2838, 8.636967, "Meta"} -> {{62163, 51564, 60434}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{87278, 74303, 75459}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{283887, 238341, 394781}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{136071, 74113, 100958}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{104110, 85203, 95494}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{86513, 56366, 82763}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{2632877, 2486223, 3672338}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{1, 1, 25178}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{96477, 54890, 95183}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{730719, 489301, 679219}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{519998, 362535, 528646}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{156618, 100257, 151717}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{1, 1, 1}, {"QH2 [ C19 H28 O4, db=95.92, \
overall=96.14, mfg=96.36, HMP ID=HMDB01304, KEGG ID= ]", ""}}, 
   {201.1365, 8.716999, "Meta"} -> {{164887, 137233, 156508}, 
     {"Capryloylglycine [ C10 H19 N O3, db=71.35, overall=72.27, mfg=73.19, \
HMP ID=HMDB00832, KEGG ID= ]", ""}}, {496.2309, 8.7241125, "Meta"} -> 
    {{521690, 437910, 495203}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{58449, 54494, 61937}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{50912, 49349, 61333}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{600315, 547450, 826956}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{87970, 73865, 118816}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{636682, 538473, 895452}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{57598, 49480, 76912}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{62926, 62696, 59727}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{141513, 141666, 158322}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{52459, 52412, 50179}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{1, 1, 1}, {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", 
      ""}}, {202.1205, 8.978412, "Meta"} -> {{32557, 32320, 31406}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{179813, 145079, 170541}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{78268, 59968, 67717}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{58302, 52553, 56023}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{182639, 167329, 184254}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{67528, 48311, 56227}, 
     {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", ""}}, 
   {1089.4987, 9.149807, "Meta"} -> {{60186, 35274, 70853}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{34586, 35977, 1}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{270735, 224074, 240755}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{93758, 77592, 89722}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{1, 1, 1}, {"15-keto-PGE2 [ C20 H30 O5, \
db=78.53, overall=78.55, mfg=78.56, Lipid ID=LMFA03010030, KEGG ID= ]", ""}}, 
   {544.2876, 9.344885, "Meta"} -> {{28663, 22192, 30214}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{53175, 47313, 68479}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{27740, 26063, 28709}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{144177, 108418, 132119}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{1, 1, 12136}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, overall=91.67, \
mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{50504, 33788, 38264}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{47174, 44092, 44804}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{28916, 25698, 29039}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{389452, 323198, 366501}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{221820, 177166, 180707}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{302483, 227377, 252126}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{272501, 224040, 253745}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{40234, 34108, 40048}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{42267, 41027, 39800}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{25364, 22626, 25215}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> 
    {{1, 1, 1}, {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{48958, 43959, 50763}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{454565, 388397, 404371}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{69789, 58152, 66275}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{59400, 49686, 49415}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 1, 15363}, {"b-D-Glucopyranosiduronic \
acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, db=76.39, overall=76.75, \
mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", "294213-87-9"}}, 
   {422.2306, 9.762639, "Meta"} -> {{295936, 264004, 272932}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{15911, 14735, 1}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{29075, 24549, 22958}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{455267, 381115, 426148}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{161396, 130213, 143796}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{443843, 279993, 391702}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{27159, 22995, 30906}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{60627, 55808, 68453}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{97417, 86023, 98281}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{200112, 189953, 214255}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{47849, 53899, 57469}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{195309, 150523, 171642}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{95247, 77564, 91002}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{44172, 40818, 53323}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{55335, 47210, 43703}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{769691, 649447, 706182}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{25934, 21745, 26826}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{13348, 1, 14417}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{15143, 1, 12987}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{460849, 395591, 429226}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{105758, 86020, 98477}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= \
]", ""}}, {216.1362, 9.984428, "Meta"} -> {{25967, 1, 28440}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{104520, 95381, 118558}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{72092, 68710, 40104}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{339712, 287694, 333374}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{1.68*^7, 1.42*^7, 1.57*^7}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{39083, 45937, 43610}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{592461, 533869, 611161}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{101454, 93220, 99518}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{133192, 128870, 127040}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{458082, 452951, 481041}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{78163, 65727, 71410}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{62639, 61827, 61916}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{129345, 79460, 83376}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{66728, 56373, 64133}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{91798, 91912, 50712}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{54810, 54943, 51424}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{70869, 59421, 77681}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{68063, 56419, 59179}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{1075197, 943451, 1060920}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{47713, 38354, 45016}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{202585, 166001, 183417}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{56311, 44988, 51768}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{94954, 64960, 67773}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{45667, 39679, 1}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{939761, 795774, 884512}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{1, 1, 30058}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{119925, 89342, 114291}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{54676, 51120, 59967}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{584137, 490687, 547633}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{1, 23785, 33090}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{141099, 116001, 128973}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{41486, 65667, 96810}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{604025, 533540, 536775}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{128399, 110935, 97558}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{182870, 190166, 181969}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{49829, 41710, 45497}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", 
      ""}}, {540.257, 10.338788, "Meta"} -> {{98037, 80221, 94886}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1756, 10.335267, "Meta"} -> {{36430, 27011, 28251}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{65745, 49287, 63563}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{23529, 17752, 21034}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{236592, 223897, 258440}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{50184, 43063, 41462}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{51654, 40059, 1}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{111897, 89649, 102685}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{40125, 1, 36014}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{35299, 27226, 35392}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{137832, 103385, 109604}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{42894, 35284, 31606}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{21578, 18152, 23935}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{202809, 174484, 197884}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{26860, 18357, 26739}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{29544, 26627, 32190}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{15674, 1, 1}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{64620, 49805, 60194}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{1, 1, 15035}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{29722, 34384, 55168}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{177980, 148342, 165947}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{144715, 111943, 124606}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{38547, 26359, 32098}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{1158766, 968640, 1056110}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{305356, 262015, 310455}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{140958, 125113, 137020}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{183725, 171920, 181077}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{29613, 39251, 34686}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{1, 1, 1}, {"bicyclo-PGE2 [ C20 H30 O4, \
db=93.97, overall=93.98, mfg=93.99, Lipid ID=LMFA03010034, KEGG ID= ]", ""}}, 
   {188.1412, 10.695612, "Meta"} -> {{383042, 343514, 372697}, 
     {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, overall=99.91, mfg=99.92, \
HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{125981, 109042, 152497}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{1, 1, 1}, {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", 
      ""}}, {242.152, 10.732443, "Meta"} -> {{969578, 835902, 977290}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{25226, 21225, 1}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{46871, 39211, 1}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{147525, 131398, 139940}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{91072, 77862, 80701}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{75701, 65299, 71128}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{1, 1, 1}, {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{383160, 375602, 647207}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{20966, 18960, 34714}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{23034, 21527, 19949}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{90046, 29182, 46062}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{164278, 177826, 152216}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{121355, 104811, 120138}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{45035, 38346, 18764}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{487088, 396605, 410034}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{25009, 27454, 19217}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{91545, 67007, 83640}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{167711, 133961, 157388}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{27437, 33090, 33750}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{544804, 468455, 517220}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{55732, 36402, 45218}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, \
db=79.09, overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{164291, 123388, 146579}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{101369, 82326, 78780}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{23019, 19832, 21415}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{39885, 32940, 28105}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> 
    {{1, 1, 1}, {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{71684, 67459, 71883}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{105798, 104837, 97976}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{378603, 300923, 347583}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{41072, 37871, 39486}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 \
O3, db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", 
      ""}}, {194.1307, 11.185084, "Meta"} -> {{236656, 193316, 216272}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{541970, 608166, 496670}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{1, 27979, 1}, {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", 
      ""}}, {266.1165, 11.206191, "Meta"} -> {{25262, 23284, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{1, 109953, 139026}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{21336, 13995, 18861}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{48851, 15049, 40051}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{81210, 71850, 83427}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{54523, 44592, 49311}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{355440, 366236, 340742}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.32, overall=87.34, mfg=87.36, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{32834, 26491, 29987}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{1, 18094, 18868}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{14395, 15046, 1}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{36446, 39468, 23295}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{1870737, 1711167, 1350661}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{21022, 17037, 1}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{89011, 79114, 91834}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{24420, 20158, 22229}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{613886, 522601, 569904}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{60989, 52664, 58582}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{84640, 73998, 96398}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{45346, 45000, 61005}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{1, 72933, 55592}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{366452, 260263, 300024}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{21420, 19661, 14617}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{58160, 47425, 57380}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{47590, 1, 40434}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{46230, 39960, 48666}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{166404, 156582, 183053}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{175651, 155129, 179238}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{6674985, 5901848, 6524063}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{141995, 117925, 129144}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{41668, 33665, 38796}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{18897, 18440, 20167}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{53322, 49058, 51683}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{115903, 103071, 112623}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{732978, 665921, 752472}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{53486, 53412, 52500}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{45782, 49362, 48158}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{1, 25837, 1}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{96907, 84391, 100665}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{154714, 145986, 146778}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{27219, 20260, 21935}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{290612, 255349, 287888}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{114113, 91791, 104722}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{85222, 72101, 77321}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{81429, 66099, 79631}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{62073, 69491, 73116}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{126807, 110376, 117965}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{22830, 20790, 21124}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{47698, 44925, 48409}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{27546, 23614, 1}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ \
C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", ""}}, 
   {654.2299, 11.549442, "Meta"} -> {{115066, 113343, 169229}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{848207, 790872, 1184757}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{61297, 50508, 63323}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{157680, 127080, 149039}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{152245, 117864, 142533}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{44422, 29178, 25945}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{1, 1, 1}, 
     {"17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-gl\
ucuronide [ C27 H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS \
ID= ]", ""}}, {258.1832, 11.625111, "Meta"} -> {{313668, 270993, 285471}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{32413, 27195, 21395}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{70913, 58493, 72290}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{12971, 11365, 10043}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{976683, 858581, 908690}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{76284, 83946, 81456}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{50611, 1, 1}, {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", 
      ""}}, {498.2829, 11.689418, "Meta"} -> {{101007, 85569, 93963}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{74056, 71666, 69719}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1984820, 1695954, 1878404}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{31105, 29880, 32278}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{24921, 17990, 22134}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{112635, 105521, 104819}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{588308, 486366, 549076}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{78723, 53025, 80986}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{165145, 1, 146262}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{274303, 231295, 249406}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{49922, 39060, 49162}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{64130, 58180, 61810}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1511652, 1309259, 1419357}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{101934, 87219, 96184}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{13705, 13747, 14314}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{180766, 149832, 1}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{233822, 207632, 228271}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{39092, 16789, 26426}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{302684, 258726, 265085}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{1, 28332, 29591}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{1, 1, 1}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{1, 1, 1}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{37467, 33310, 27737}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{552355, 555466, 457573}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{48188, 41260, 44944}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{39494, 32502, 45857}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{156376, 132972, 142075}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{43231, 1, 39796}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{66081, 53499, 58961}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{77149, 79386, 130419}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{66755, 53300, 59104}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{18473, 16245, 18164}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{92118, 77668, 87943}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{75315, 85987, 1}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{25369, 31727, 20134}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{95608, 132034, 120688}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{24770, 22198, 21614}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{109868, 99514, 106843}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{42829, 37319, 29736}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{142574, 155729, 205996}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{59511, 1, 40379}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{317477, 256815, 272145}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{20601, 19912, 22527}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{101493, 83631, 97524}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{353594, 342052, 342185}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{33250, 26894, 24356}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{26326, 23077, 22629}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{32542, 28953, 33618}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{1137083, 985779, 1044901}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{53551, 48276, 51807}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]"\
, ""}}, {414.2078, 12.023414, "Meta"} -> {{163934, 124445, 136848}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{17754, 1, 21334}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{57856, 28310, 73110}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{131022, 105572, 118839}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{17926, 15821, 17606}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{316148, 299321, 312157}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{1, 2.3*^7, 1}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{316562, 291091, 292788}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{690228, 641548, 679429}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{65741, 62238, 68496}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{133163, 109345, 112757}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{29667, 25052, 23670}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{38558, 32997, 37492}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{19768, 20243, 23778}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{19057, 18224, 1}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{86716, 77651, 76517}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{314100, 284610, 309442}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{37375, 31607, 17916}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{34863, 33626, 35632}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{55690, 42043, 48811}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{17467, 1, 1}, {"3alpha-androstanediol \
glucuronide [ C25 H40 O8, db=80.99, overall=81.06, mfg=81.14, Lipid \
ID=LMST05010004, KEGG ID= ]", ""}}, {372.197, 12.089192, "Meta"} -> 
    {{318658, 266733, 298938}, {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, \
db=67.20, overall=68.33, mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{47242, 47239, 51574}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{1, 31057, 26639}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{24516, 24976, 17285}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{60413, 47437, 59794}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{44443, 37903, 40709}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{72479, 65854, 70001}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{1329860, 1105195, 1257404}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{52190, 42512, 45036}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{150326, 125861, 139748}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{54386, 100710, 128786}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{228809, 233480, 239287}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{152032, 127771, 161299}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{239744, 200438, 222803}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{37969, 31108, 32160}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", ""}}, 
   {498.3181, 12.159394, "Meta"} -> {{71524, 54341, 65404}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{46169, 41546, 43372}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{53713, 42129, 57432}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{392996, 332186, 418547}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{1079790, 903268, 957304}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{128332, 110600, 125831}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> {{27647, 19940, 23864}, 
     {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", ""}}, 
   {377.2332, 12.191944, "Meta"} -> {{147761, 120557, 108505}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{222330, 180027, 202378}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{80506, 56604, 61297}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{43363, 54797, 1}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{30755, 28187, 28150}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{112900, 102338, 106229}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{32104, 26768, 31552}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2614971, 2207044, 2377688}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{24805, 19654, 20394}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{67591, 1, 65101}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{29527, 21813, 26941}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{229245, 196261, 216791}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{185622, 139529, 178576}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{246491, 208515, 226077}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{20427, 1, 19656}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, db=73.27, \
overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", "15847-24-2"}}, 
   {324.211, 12.24494, "Meta"} -> {{1, 1, 1}, {"4,7,10,13-Docosatetraynoic \
acid [ C22 H28 O2, db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]"\
, ""}}, {314.2459, 12.245145, "Meta"} -> {{56457, 45464, 51933}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{37987, 30923, 33649}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{127781, 103817, 116445}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{843379, 733664, 720235}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{68867, 38358, 49600}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{158120, 211530, 81176}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{44760, 32089, 34395}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{18399, 17053, 8423}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{700398, 578660, 613959}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{139874, 110620, 122243}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{1, 1, 1}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, overall=62.55, \
mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{34266, 1, 24331}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{73623, 65766, 67737}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{57588, 50990, 31916}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{40209, 35523, 43730}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{194909, 190460, 222097}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{49277, 41976, 42471}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{42290, 40122, 61785}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{51703, 40226, 1}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{776160, 645002, 703078}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{62661, 49928, 58077}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{676010, 573008, 627503}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{485277, 417813, 428953}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{56775, 32788, 38522}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{1, 1, 1}, {"9,12,13-trihydroxy-10,15-octa\
decadienoic acid [ C18 H32 O5, db=61.93, overall=62.11, mfg=62.29, Lipid ID=, \
KEGG ID= ]", ""}}, {272.199, 12.347274, "Meta"} -> 
    {{1, 34362, 1}, {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, \
overall=83.33, mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {186.162, 12.35339, "Meta"} -> {{71014, 66805, 47497}, 
     {"Undecylic acid [ C11 H22 O2, db=85.09, overall=85.12, mfg=85.15, KEGG \
ID=, CAS ID= ]", ""}}, {527.2561, 12.364172, "Meta"} -> 
    {{290077, 244520, 259379}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{16268, 16500, 16378}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{11373, 23404, 1}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{430860, 389237, 420962}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{40605, 26195, 35713}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{69218, 46796, 61597}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{109598, 95215, 105279}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{113214, 101119, 105292}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{79278, 62631, 65228}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{8281151, 6518724, 7254910}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{243725, 226178, 233396}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{46190, 37791, 45895}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{122507, 63300, 114081}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{1, 1, 1}, {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", 
      ""}}, {819.495, 12.407156, "Meta"} -> {{14660, 1, 8431}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{1, 1, 1}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{954278, 795106, 869985}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{14411, 1, 1}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{1, 1, 1}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{1, 1, 1}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{1, 1, 1}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{53640, 52116, 58319}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{60666, 48358, 52494}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{93960, 82096, 1}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{59101, 52023, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=83.97, overall=84.04, mfg=84.10, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {482.2879, 12.448696, "Meta"} -> 
    {{247918, 186959, 224523}, {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", 
      ""}}, {657.3511, 12.452407, "Meta"} -> 
    {{1, 1, 1}, {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", 
      ""}}, {260.1799, 12.457679, "Meta"} -> {{57441, 94433, 50774}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{1, 11684, 27119}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{1262618, 1059821, 1193279}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{1, 1, 103727}, {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", 
      ""}}, {264.2089, 12.466646, "Meta"} -> {{31998, 27136, 28519}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{129238, 115845, 121747}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{333475, 285899, 377925}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{54878, 44878, 64204}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{77585, 58803, 86032}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{702807, 532851, 622752}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{19454, 18265, 17652}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{84707, 87198, 104943}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{19360, 18032, 18785}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{148384, 131277, 133005}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{1, 1, 1}, {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", 
      ""}}, {920.6096, 12.514935, "Meta"} -> 
    {{1, 1, 1}, {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", 
      ""}}, {449.3134, 12.515945, "Meta"} -> {{883997, 699305, 789514}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{18122, 1, 1}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{47311, 47870, 51386}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{1, 1, 11171}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", 
      ""}}, {414.2083, 12.521227, "Meta"} -> {{55553, 29466, 29730}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{32242, 27755, 34002}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{1, 1, 1}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{157460, 125771, 143535}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{117555, 90801, 103229}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{125715, 107859, 114605}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{56822, 49848, 61898}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{1, 24645, 1}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{744728, 567077, 684958}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{100598, 82169, 94699}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{57009, 45006, 54867}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{125458, 91374, 106717}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{37490, 30990, 40586}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{156597, 166959, 163915}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{1227040, 1009141, 1219740}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{82412, 78089, 1}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{976650, 748327, 49171}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{682516, 541471, 576871}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{31377, 1, 25278}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{358195, 256058, 1}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{23976, 18485, 26705}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{67568, 55806, 1}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{80972, 252979, 298454}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{355733, 248701, 27454}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{308493, 245898, 21533}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{23942, 19945, 19609}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{1, 240946, 238366}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{196179, 151139, 15512}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{55528, 46948, 52030}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{264421, 233411, 277267}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{41089, 37099, 43602}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{35358, 32785, 23967}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{314224, 258639, 274349}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{466843, 374971, 282111}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{460142, 412835, 405884}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{1231763, 1019528, 1092813}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{76478, 58915, 70481}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{121397, 99048, 104336}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{237330, 184161, 213980}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{66471, 54067, 57800}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{142821, 107541, 23349}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{1, 89850, 61714}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{49146, 42039, 47667}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{51502, 45204, 47272}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{22921, 1, 23417}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{60350, 56675, 71050}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{632005, 526755, 589900}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{25421, 1, 23054}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{224294, 267072, 257310}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{19284, 1, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{16113, 17972, 44971}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{517312, 370918, 36053}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{106961, 96370, 1}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{64472, 48653, 59718}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{1582337, 1284639, 108521}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{2321432, 1844333, 1954677}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{261563, 217528, 222165}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{48669, 42865, 1}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{65905, 54283, 63214}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{99391, 118940, 246514}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{224625, 202082, 203795}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{89620, 75481, 1}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{77160, 65439, 75837}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{311111, 287915, 320123}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{50858, 51345, 52256}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{248535, 215038, 136852}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{19366, 17984, 12937}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{2792878, 2464118, 1859141}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{366723, 357454, 224397}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{16393, 1, 1}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{25884, 23068, 39413}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{55012, 47440, 46402}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{60606, 44573, 1}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{221084, 193577, 58819}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{134894, 111591, 1}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{65321, 61563, 40873}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{1504304, 1227096, 95486}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{79783, 69086, 73204}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{46918, 24321, 1}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{158599, 139590, 167629}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{402105, 285717, 26326}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{29426, 26745, 18368}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{88669, 84126, 1}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{247245, 216366, 225972}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.35*^7, 1.9*^7, 2.22*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{195362, 166564, 175818}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{745100, 707525, 743246}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{78236, 64124, 109865}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{182027, 178612, 257678}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{28653, 26483, 32315}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{61474, 50119, 52848}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{24553, 28628, 56202}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{68539, 1, 64410}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{51823, 46118, 93220}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{60321, 66496, 1}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{51423, 42799, 45365}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{25554, 22333, 1}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{39779, 56392, 71928}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{1, 14717, 16039}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{36880, 28985, 31681}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{669822, 550961, 65290}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{168471, 261306, 141167}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{37524, 1, 40887}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{41577, 32804, 11829}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{19989, 15515, 1}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{124371, 80382, 1}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{87767, 71165, 1}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{31747, 33257, 14074}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{38547, 30170, 41948}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{798797, 737123, 1000351}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{17022, 16162, 1}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{400479, 352546, 335877}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{57208, 50899, 80505}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{75260, 91609, 36543}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{202323, 169370, 134910}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{95501, 74872, 1}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{255575, 226020, 261052}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{312989, 259335, 1}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{309271, 236359, 275097}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{1, 1, 25356}, {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", 
      ""}}, {364.2426, 12.910054, "Meta"} -> {{45965, 34858, 37624}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{2578291, 1915392, 167380}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{37572, 38749, 47831}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{3791500, 3227249, 509918}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{39736, 36914, 1}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{25299, 17841, 1}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{66605, 52207, 1}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{79399, 79034, 56859}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{526033, 492078, 828575}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, \
db=60.10, overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{604342, 559487, 588198}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{177452, 151314, 1}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{63022, 68082, 49663}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{21012, 1, 36908}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{119097, 95842, 1}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1420494, 1057708, 68617}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{22622, 20478, 1}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{1, 133887, 148374}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{394589, 347234, 1}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{345465, 319644, 35472}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{115368, 92861, 86508}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{76322, 74052, 1}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{51005, 43042, 1}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1649327, 1423094, 167277}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{383658, 352199, 141164}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{593583, 502364, 136250}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{217371, 173382, 1}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{218467, 197376, 60686}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{35338, 50145, 165766}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{269968, 251540, 315374}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{40848, 54516, 76763}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{1543408, 1357319, 2707888}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{323828, 305597, 1}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{29423, 24851, 46173}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{17039, 22250, 16710}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{80864, 75117, 79515}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{336886, 295749, 365967}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{125626, 154715, 20279}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{20190, 1, 26174}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{64904, 48499, 41526}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{20669, 24915, 1}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{62204, 60779, 86528}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{1, 8420, 32433}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{220573, 179085, 1}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{71452, 72037, 1}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{272100, 251937, 28481}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{2295401, 1872206, 275703}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{61806, 51314, 40841}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{60874, 51794, 1}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{98123, 90529, 1}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{2265590, 1688852, 297332}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2519412, 2302233, 396171}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{105849, 84028, 1}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{41327, 42762, 47009}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1477076, 1094373, 92881}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{80227, 72181, 70046}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{1.01*^7, 9406488, 3119352}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{53918, 68410, 50104}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{611057, 599681, 1068475}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{87421, 79000, 151946}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{30047, 26694, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{96106, 151842, 1}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{143958, 127707, 154597}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{111794, 111078, 30138}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{106329, 93309, 18505}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{42364, 43838, 39569}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1388890, 1275729, 208489}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{173496, 168974, 189525}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{2293324, 2723529, 910361}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{311353, 232411, 28457}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{53214, 51010, 99670}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{18978, 15408, 26254}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{62070, 59051, 63300}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{99460, 94335, 1}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1309701, 1271137, 3828202}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{698697, 653747, 115663}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{1, 1, 361079}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{651457, 605419, 868322}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{331760, 267277, 770925}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{317539, 223558, 15759}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{119729, 112374, 133315}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{27826, 28478, 21410}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{2941661, 2687828, 627124}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{331136, 268507, 1}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{56879, 1, 67298}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{153071, 128659, 183259}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{421178, 399619, 1}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{926386, 825423, 59383}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{233990, 216132, 1}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{95548, 80130, 1}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{136662, 90432, 1}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{19149, 23112, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{1, 175533, 211279}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{735434, 649324, 634613}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{38329, 57581, 50359}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{87911, 93593, 71495}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{26760, 93771, 186106}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{83053, 80525, 197149}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{1, 31520, 78272}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{1, 56902, 128556}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{60500, 1, 29261}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{135695, 133575, 102735}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{17125, 13965, 26867}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{60384, 52273, 163174}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{154895, 128487, 22933}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{65211, 86001, 53797}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{725714, 1135850, 1}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{106523, 212274, 1}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{17825, 19024, 36849}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{68452, 50615, 1}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{90522, 109419, 1}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{22413, 40574, 1}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{72906, 117322, 1}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{12281, 15372, 46397}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{52179, 40473, 60405}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{89190, 81919, 193803}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{29826, 27708, 1}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{114703, 102182, 1}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{27132, 22657, 20197}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{176109, 167028, 191338}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{47421, 40368, 1}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{88915, 71640, 85342}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{42034, 34899, 1}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{141320, 124390, 208715}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{47002, 31358, 31396}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{251650, 234546, 1}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{16633, 22824, 93801}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{3017346, 2179918, 268199}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{75205, 64724, 1}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{327077, 213426, 36976}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1613393, 1630100, 161661}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{384062, 210372, 23479}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3678382, 3187358, 786203}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{76195, 99644, 63599}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.37*^7, 1.29*^7, 4523784}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{274992, 159478, 1}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{28942, 21431, 22211}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{270319, 214198, 407751}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{1, 1, 1}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{24196, 22334, 13939}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{509505, 452920, 1295804}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{1, 1, 88303}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{186756, 153569, 103128}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{59923, 55064, 91235}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{1, 23200, 23881}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{82316, 36447, 50022}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{30185, 23669, 56921}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=84.02, overall=84.06, \
mfg=84.10, Lipid ID=, KEGG ID= ]", ""}}, {1572.0306, 13.272583, "Meta"} -> 
    {{138972, 121430, 1}, {"", ""}}, {272.2352, 13.270832, "Meta"} -> 
    {{302276, 247763, 225465}, {"Juniperic acid [ C16 H32 O3, db=98.78, \
overall=98.80, mfg=98.81, Lipid ID=LMFA01050051, KEGG ID= ]", ""}}, 
   {1291.1812, 13.267562, "Meta"} -> {{26210, 23451, 27237}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{556163, 558299, 1804706}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{213462, 129349, 1}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{24094, 1, 21785}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{35871, 33960, 33929}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{405021, 361241, 1}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{891436, 775422, 101245}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{99196, 68610, 1}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{252609, 15279, 11332}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2344492, 1873551, 468585}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{267759, 198096, 1}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{108287, 84587, 62897}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{161143, 166014, 147987}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{174206, 153581, 393894}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{748683, 674727, 1211518}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{61351, 60833, 30341}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{119796, 94818, 143002}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{17531, 1, 1}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{1, 82600, 98399}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{272983, 291370, 442374}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{34276, 39363, 35473}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{177358, 195473, 158406}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{30239, 37294, 47771}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{44739, 66195, 305593}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{35727, 37059, 1}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{58136, 34402, 120343}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{74174, 68726, 1}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{121980, 124207, 1}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{47139, 35664, 31916}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{387673, 305003, 65480}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{42983, 43215, 1}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{163788, 155130, 345450}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{1822440, 1435043, 157060}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{10572, 12664, 1}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{162003, 132973, 1}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{24914, 17844, 31538}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{142704, 125095, 143573}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{175265, 139659, 218687}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{53538, 65226, 76981}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{16602, 21955, 1}, {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", 
      ""}}, {492.3272, 13.347747, "Meta"} -> 
    {{1, 1, 1}, {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, \
overall=41.07, mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, 
   {428.2233, 13.3463335, "Meta"} -> {{98690, 95575, 200646}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{58058, 82123, 1}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{26119, 61550, 19926}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{454004, 472822, 35820}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{455370, 391028, 327579}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{120877, 108021, 79553}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{71981, 49960, 1}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{1, 1, 1}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{212766, 213284, 1}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{10992, 102227, 75591}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{2811925, 2488445, 121181}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.08*^7, 9674617, 1813402}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{92350, 88794, 27852}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{48401, 41598, 54870}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{87826, 103474, 16102}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{123288, 118590, 1}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{58939, 52102, 62651}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{61029, 51467, 51541}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{2313083, 1358093, 748083}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{115740, 82109, 1}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{273159, 196017, 84764}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{70378, 47342, 1}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{274370, 266601, 461636}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{168517, 133075, 100586}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{375143, 345027, 20488}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{80797, 76762, 197653}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{1818671, 1603729, 977762}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{351097, 290299, 11774}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{133393, 232889, 1}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{183244, 176169, 1}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{91418, 64190, 1}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{116471, 94696, 1}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{562220, 517140, 167134}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{42934, 41927, 32772}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{33927, 35392, 1}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{87881, 85274, 60330}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{35309, 35766, 81702}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{1.17*^7, 1.07*^7, 9511245}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{54760, 55467, 19193}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1649012, 1545308, 1425314}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{21199, 23549, 24060}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{19246, 27904, 25372}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{72788, 72021, 73811}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1405458, 1360833, 1046826}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{15633, 17999, 1}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{44214, 47510, 52204}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{92958, 87786, 1}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{104601, 101639, 160366}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{97915, 100130, 66752}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{40572, 36642, 1}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{75671, 71347, 1}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{153180, 161433, 158151}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{75665, 89280, 128846}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{37764, 42856, 1}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{37621, 36292, 1}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{37495, 26886, 1}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1892236, 1537970, 691175}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{80587, 59257, 54434}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{179925, 196125, 1}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{85699, 78008, 35071}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{23949, 24283, 18163}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{161251, 148657, 123129}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{82196, 68086, 1}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{63984, 45232, 1}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{275559, 199123, 23953}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{193211, 161106, 187189}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{44309, 40879, 43832}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{1, 1, 235693}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{68303, 75575, 74800}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{1, 334508, 107768}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{54920, 36842, 22202}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{1061362, 799393, 610488}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{41322, 26973, 1}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{47906, 30933, 1}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{342179, 285620, 1}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{30311, 31223, 60570}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{37638, 25324, 1}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{95618, 70736, 1}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{85181, 68518, 1}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{490558, 382692, 1}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{71801, 59185, 1}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{63815, 35614, 1}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{376307, 336575, 303490}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{259940, 188597, 1}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1557339, 1404160, 188196}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{81863, 75426, 1}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{47889, 42570, 1}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{41135, 62299, 1}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{26814, 23915, 1}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{79394, 90743, 97489}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{2950477, 2425898, 114255}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{434574, 414042, 1}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{181885, 149854, 1}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{39219, 32774, 114347}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{214027, 159221, 1}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{878250, 567367, 1}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{46403, 45740, 50512}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{29679, 57512, 36197}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{53292, 50487, 150953}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{285927, 247569, 1}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{58999, 51906, 1}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{52258, 52339, 1}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{209660, 194470, 1}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{119894, 112952, 1}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{63307, 51161, 1}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{50480, 38643, 1}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{1376858, 1094882, 36653}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{47846, 38636, 33191}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{151902, 158651, 22148}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{6169953, 5213596, 4664819}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{25326, 21433, 20107}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{25918, 30802, 29026}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{608826, 543029, 579352}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1461297, 931384, 454245}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{49235, 51073, 57495}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{69503, 56180, 1}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{29978, 25873, 33177}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{69736, 62125, 58047}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{99983, 101701, 81336}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{1.67*^7, 1.49*^7, 1.41*^7}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{585364, 533420, 689879}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{47606, 43576, 43878}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{1456918, 1422704, 1437172}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{86065, 105492, 96792}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{67181, 84527, 1}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{35697, 1, 15425}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{66205, 80117, 96367}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{61950, 34911, 1}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{1121087, 853822, 442071}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{270995, 236283, 227090}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{132978, 85372, 1}, {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", 
      ""}}, {529.2717, 13.575902, "Meta"} -> {{61919, 99945, 227155}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{16512, 17570, 21779}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{103272, 79383, 90262}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{469049, 318498, 1}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{42018, 37235, 17838}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{79521, 65112, 57546}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{699699, 559006, 62624}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{22712, 50247, 1}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{644936, 829093, 32960}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{93386, 97513, 1}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{26492, 24430, 36462}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{46810, 69149, 1}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{39307, 51238, 1}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{50731, 44193, 51066}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{51272, 91890, 1}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{1374762, 2381943, 705604}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{295630, 467259, 1}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{130276, 279837, 1}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{264245, 400476, 10158}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{30839, 101686, 42656}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{100323, 161021, 1}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{32767, 1, 1}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{1826253, 2938603, 102707}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{54788, 38937, 1}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{8606, 59555, 47113}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{29748, 17173, 19149}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{216356, 162708, 166708}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{245870, 211035, 124338}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{32514, 28929, 18869}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{24872, 46676, 1}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{246080, 222376, 1}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{88305, 83879, 1}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{1, 47404, 1}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{2.46*^7, 2.11*^7, 2.03*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{72617, 65900, 61245}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{86616, 99070, 123673}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{151511, 140430, 155004}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{112087, 106392, 93546}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{25917, 23939, 1}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{249799, 198806, 362852}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{26871, 27565, 35931}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{67298, 66072, 81298}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1855884, 1524475, 1720958}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{1, 1, 111443}, {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{1, 1, 37806}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{131196, 141881, 209372}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1, 1721525, 1913483}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{121494, 146834, 131391}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{108488, 83794, 1}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{97038, 86199, 41053}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{88095, 80431, 168491}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{63533, 48206, 1}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{314073, 275619, 34318}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{42980, 30670, 1}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{114039, 94140, 61443}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{45210, 47401, 32510}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{34929, 30356, 1}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{611922, 590679, 430898}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{19050, 16354, 20896}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{309355, 214924, 71100}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{113708, 85364, 1}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{71650, 71856, 26524}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{108172, 89180, 135859}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{17039, 12870, 1}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{215564, 169600, 1}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1533411, 1389485, 229849}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{28507, 30252, 53930}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{46432, 48480, 78331}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{46204, 32928, 25208}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{49127, 65232, 1}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{68715, 35219, 1}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{2087791, 2090541, 157978}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{77904, 61434, 76810}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{19734, 1, 52992}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{448596, 374746, 1}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{64722, 77337, 78504}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{77364, 61759, 1}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{87794, 85663, 1}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{80599, 76796, 139680}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{26946, 38078, 1}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{4340156, 3427060, 353101}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{281995, 280393, 114492}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{50735, 53924, 22432}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{37502, 24071, 15102}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{80716, 47379, 38820}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{155612, 109368, 1}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{49274, 52181, 1}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{200908, 295889, 1}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{485042, 347429, 296451}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{62510, 64642, 1}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{83837, 116610, 1}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{25003, 1, 82897}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{18687, 28291, 1}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{449904, 560733, 42868}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{19393, 26948, 1}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{49680, 116815, 1}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{558419, 1146141, 1}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{29929, 20714, 18378}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{50765, 50189, 1}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1185455, 1734344, 1}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{142103, 152814, 30329}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{5903138, 1.07*^7, 40829}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1269245, 1712922, 105770}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{109093, 66602, 1}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{30735, 45078, 1}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{153066, 262366, 1}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{37454, 25247, 27752}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{117436, 444479, 1}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{86331, 100540, 83431}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{42767, 30003, 1}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{220240, 160756, 375532}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{45795, 34604, 1}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{104629, 88045, 46089}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1322834, 1309346, 72226}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{22258, 24069, 1}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{47715, 48638, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{52299, 61609, 29172}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{1618921, 1231550, 1165841}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{87907, 82412, 1}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{84772, 72631, 1}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{152109, 138203, 1}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{1, 17754, 21509}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{76620, 61832, 34028}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{16672, 18507, 1}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{20393, 11949, 1}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{100836, 69911, 1}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{418976, 339927, 1}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{187790, 122488, 251894}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{34705, 38953, 1}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{27559, 29135, 1}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1265144, 1081874, 43326}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{4363230, 3876496, 531039}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{147526, 144938, 184214}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{97087, 53108, 23567}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{561479, 496049, 667046}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{17026, 43364, 70113}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{323711, 297418, 337423}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{86393, 58177, 85693}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{64174, 62535, 39011}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{39854, 38709, 65639}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{19611, 16649, 13508}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{51576, 49099, 35009}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{187174, 146293, 39381}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{676491, 578789, 591141}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{2.*^7, 1.76*^7, 1}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{199204, 187842, 59150}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{31442, 30475, 31398}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{683511, 629243, 453484}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{1.48*^7, 1.33*^7, 1.16*^7}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{56336, 55773, 136682}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{188263, 181955, 62367}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{37843, 41865, 97311}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{355925, 326067, 405491}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{108688, 120821, 255528}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{633574, 589918, 426705}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{111392, 98177, 237472}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{33658, 22834, 1}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{80632, 103416, 1}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{115554, 103914, 231645}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{31330, 34170, 1}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{91570, 112485, 211506}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{48023, 49438, 1}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{132943, 97198, 1}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{305966, 290471, 480700}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{744046, 741778, 107519}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{2778894, 2691272, 1136287}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1328377, 1007745, 1}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{243994, 255174, 201303}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{40698, 25788, 1}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{233130, 251539, 474228}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{20772, 20017, 1}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{48162, 43224, 53555}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{2025137, 1691589, 127890}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{92322, 153635, 1}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{229453, 207160, 487954}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{59256, 62420, 1}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, overall=54.22, \
mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{786272, 733148, 45880}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{57017, 110832, 1}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{286912, 234781, 1}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{96111, 82934, 54857}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{77537, 100755, 1}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{130603, 150941, 247164}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{67984, 51646, 64317}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{53154, 63572, 50740}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{140757, 132190, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{2301898, 1, 1944489}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{134057, 113094, 152976}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{140946, 131126, 1}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{234786, 223067, 1}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{1961212, 1878131, 483129}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{264909, 238354, 249598}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> {{14951, 16567, 25010}, 
     {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", ""}}, 
   {791.6036, 13.861483, "Meta"} -> {{62646, 62154, 11731}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{260905, 205672, 139363}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{83571, 74390, 1}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{142980, 145879, 1}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{211305, 198287, 194216}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{50811, 41057, 1}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{26353, 25952, 28351}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{948239, 767102, 389313}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{1, 50042, 39195}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{41745, 32112, 1}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{25841, 23839, 16675}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{2587019, 1760932, 2729550}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{413371, 672442, 21863}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{44008, 38054, 34002}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{27205, 21890, 27114}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{27780, 27184, 24543}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{208148, 156726, 131004}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{63439, 45231, 38086}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{1, 1, 1}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{53676, 34877, 43576}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{33095, 24383, 26656}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{1, 166568, 1}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{296927, 244479, 192898}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{1, 44479, 13660}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{34311, 31710, 41597}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{87262, 66942, 64701}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{21025, 16310, 12124}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{21251, 19863, 1}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{244673, 267769, 391964}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{140070, 77637, 125242}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{59773, 36991, 1}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{354526, 308184, 357793}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{133019, 134501, 74668}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{42286, 35847, 1}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{1, 1, 1}, {"3beta,7alpha,12alpha-Trihyd\
roxy-5alpha-cholestan-26-oic acid [ C27 H46 O5, db=66.59, overall=66.88, \
mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, {552.4012, 13.899415, "Meta"} -> 
    {{61937, 32505, 64374}, {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, \
db=54.01, overall=27.00, Lipid ID=LMGP01020095, KEGG ID= ]", ""}}, 
   {665.3879, 13.8886795, "Meta"} -> {{39088, 59220, 1}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{260900, 189276, 1}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{33805, 23259, 33087}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{2230305, 1477168, 359676}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{120723, 1, 170927}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{244122, 218217, 30665}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{57790, 51549, 71444}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{130845, 127560, 163426}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{29254, 23527, 1}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{496241, 418570, 1}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{105632, 68068, 1}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{68915, 58013, 22728}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{39775, 34995, 19045}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{18585, 16374, 1}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{236735, 172825, 1}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{74246, 127087, 1}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{341694, 307224, 391117}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{207630, 340522, 1}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{597466, 1279821, 80187}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{119711, 92389, 89546}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{177174, 215035, 1}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{184163, 157271, 204130}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{560943, 509136, 1585593}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{158574, 392336, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{743054, 1306371, 34619}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{4339009, 4248655, 3167855}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{236624, 192258, 231134}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{137201, 133295, 1}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{179227, 153412, 94212}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{533929, 478949, 62355}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{22825, 44339, 1}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{337274, 275320, 78905}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{35198, 39820, 1}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{1, 33426, 1}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{226469, 196146, 90891}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{66989, 55589, 27873}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{32664, 21593, 1}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{75103, 78718, 69928}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{605244, 514933, 474931}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{6.48*^7, 5.77*^7, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{59291, 55825, 51668}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{79136, 76592, 68398}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{54794, 46975, 1}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{14061, 19729, 1}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{96509, 73530, 37293}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{54861, 44759, 24993}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{184882, 183055, 143097}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{41608, 36378, 22782}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{30639, 31423, 27787}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{41688, 35514, 15565}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{70939, 67315, 88791}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{121161, 108201, 95942}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{254396, 255055, 271892}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{66500, 64412, 94546}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3393326, 3188753, 2813642}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{22459, 26254, 30229}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{90629, 87450, 118283}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{1, 22700, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{1, 39986, 50342}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{51969, 49936, 87272}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{16646, 16271, 12657}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{46803, 37766, 27267}, 
     {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{55146, 52324, 58276}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{144119, 109485, 105230}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{118847, 98178, 52387}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{244193, 191016, 36221}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{59423, 53674, 1}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{42852, 24243, 1}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{75686, 69250, 49204}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{112172, 59112, 75510}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{5994343, 5385307, 4309431}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{20586, 18358, 12971}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{861592, 900563, 1}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{135904, 96538, 46718}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{823592, 257988, 501343}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{93009, 78133, 55330}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{231458, 195796, 291728}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{83041, 36249, 80070}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{47415, 64189, 70910}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{41614, 28413, 40307}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{3314178, 2415929, 1510123}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{134266, 120114, 202825}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{163626, 1, 1}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{38167, 50948, 1}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{67494, 57944, 53796}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{448512, 481979, 543432}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{53363, 26738, 77569}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{69966, 61555, 1}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{141225, 134827, 198499}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{88962, 118431, 1}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{309807, 427598, 15448}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{320034, 293114, 208489}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{28929, 1, 31425}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{645718, 1052581, 37663}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{29623, 18975, 1}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1370587, 909462, 542326}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{101956, 66441, 81962}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{112063, 158794, 1}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{36660, 32701, 24881}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{323236, 248780, 144085}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{320101, 268464, 348400}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{433540, 387701, 416204}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{118090, 199815, 1}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{480154, 604527, 1}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{477815, 689086, 23267}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{385853, 314076, 1}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{81517, 124964, 33868}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{3694382, 5343772, 1}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{93787, 60674, 1}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{38058, 30853, 38576}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{796428, 692584, 571271}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1235628, 1028016, 867533}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{293506, 236987, 28676}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{112223, 90247, 143103}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{107915, 64264, 62725}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{1011415, 1012805, 954581}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{735639, 596484, 520864}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{28247, 21047, 12912}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{39566, 28747, 19070}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{56009, 29965, 116208}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{27198, 23246, 34740}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{51527, 56578, 80709}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{156032, 142954, 164954}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{43173, 36829, 161614}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{9.67*^7, 8.15*^7, 6.91*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{70990, 45897, 51026}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{28319, 22285, 1}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{1, 1, 1}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{171948, 77957, 57033}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{55340, 57910, 69618}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{23972, 14176, 43812}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS \
ID= ]", ""}}, {1188.9512, 14.08425, "Meta"} -> {{32572, 25799, 40942}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{129023, 108316, 109845}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{25149, 15861, 37979}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> {{1, 16189, 33771}, 
     {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{118534, 105942, 128558}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{43168, 36531, 86420}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{454277, 291786, 1}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{146040, 135670, 379612}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{16180, 1, 27119}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{28420, 19093, 68876}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{15193, 10283, 55234}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{69066, 57783, 1}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{30790, 56207, 1}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{228539, 221330, 207973}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2732415, 2301979, 2731693}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{304598, 284572, 327396}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{146170, 86063, 80778}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{34899, 19877, 1}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{33101, 31185, 1}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{426778, 396467, 411553}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{56074, 48245, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{28656, 1, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{125258, 65031, 41958}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{27440, 22537, 29091}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{16821, 20815, 1}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{403665, 356255, 499721}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{24689, 23647, 1}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{1, 16387, 25067}, {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", 
      ""}}, {552.5117, 14.12462, "Meta"} -> {{49577, 1, 72276}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{1, 1, 378616}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{53223, 44140, 58131}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{1, 1, 57205}, {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", 
      ""}}, {356.2722, 14.132971, "Meta"} -> {{210967, 177616, 132894}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{99257, 82671, 86175}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{8742380, 1.06*^7, 1641372}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{140449, 118574, 115242}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{242235, 280232, 21690}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{292743, 244762, 77118}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{1405306, 2517774, 1}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{1.36*^7, 2.4*^7, 251466}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{64781, 56266, 65675}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{801585, 1252726, 1}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{126409, 161183, 1}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{3608231, 4810542, 406615}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{32470, 49330, 1}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{222207, 211000, 1}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{628084, 1035006, 166150}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{8956543, 1.31*^7, 1537440}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{53423, 58215, 1}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{130572, 80747, 114291}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{441108, 599643, 101489}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{822301, 696905, 779493}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{262231, 310178, 30778}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{144282, 153964, 17738}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{30473, 19072, 15794}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{84353, 32747, 71587}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{3167608, 2559092, 1761899}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{166061, 214371, 41852}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{46946, 20361, 25267}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{194517, 234318, 48442}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{287528, 75253, 277738}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{99945, 140794, 1}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{40275, 36086, 1}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{181347, 168410, 194258}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{34938, 33416, 1}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{38109, 20883, 59021}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1281457, 1663360, 89980}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{669446, 401441, 1956136}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{199209, 169792, 316832}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{117466, 90990, 247775}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{65129, 88196, 86935}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{4970034, 4151677, 4579327}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{174195, 161045, 91928}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{45811, 41240, 1}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{3524405, 2655474, 1179067}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{678033, 600472, 337763}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{150079, 158487, 128691}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{25627, 18251, 27246}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{397531, 92921, 133516}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{339957, 252170, 160814}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{668185, 1, 765487}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{1, 17992, 12495}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{174810, 193896, 116958}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{33659, 41069, 25927}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{194952, 189958, 115562}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{48939, 47637, 68158}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{62823, 52923, 11770}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{408799, 479981, 269979}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{349702, 312858, 1}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{62302, 44893, 54325}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{150187, 207752, 64562}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{1, 84238, 127946}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{135180, 94826, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{76748, 64125, 69880}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{98009, 88129, 93207}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{211598, 331589, 1}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{42993, 33684, 1}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{202025, 190576, 267279}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{4731004, 4578509, 1792026}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{222817, 218435, 99685}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{66040, 58178, 1}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{609345, 514861, 247584}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{1, 34938, 87678}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{364058, 344066, 1}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{324655, 227035, 219918}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{33985, 39028, 18246}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{135951, 66467, 116195}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{8406916, 6696323, 6332555}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{313632, 273738, 248544}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{1, 44031, 63335}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{48045, 45246, 35447}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{159573, 159763, 249855}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{561561, 497830, 468853}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{146389, 73539, 86538}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{79077, 70848, 17489}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{166705, 150986, 87519}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{75285, 68679, 55330}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{34690, 739191, 350272}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{88170, 77099, 60931}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{411283, 41551, 1}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{83413, 43164, 29334}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{1, 40034, 26347}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{116635, 115819, 74157}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{844428, 464197, 309055}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{124071, 102427, 37617}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{112223, 97786, 95349}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{6111891, 4713283, 4212394}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{187920, 141205, 92321}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{154709, 86586, 1}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{3428724, 2584315, 2023229}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{1, 38655, 49298}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{38797, 1, 315620}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{1, 46827, 30094}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{69882, 56306, 23467}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{38438, 45120, 1}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 H38 \
O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{491162, 426883, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{1, 18454, 1}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{429084, 365953, 441591}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{557315, 450445, 403627}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{8415955, 6426145, 5421355}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{48478, 1, 1}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{141725, 89304, 53294}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{787658, 635158, 614504}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{37470, 39397, 46888}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{270612, 256189, 137732}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{64097, 54353, 19577}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{786707, 701754, 1}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{107640, 156583, 1}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{65287, 66389, 85382}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{2844092, 3835977, 3906547}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{33259, 88828, 1}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{97801, 83694, 46180}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{434602, 339350, 127162}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{988875, 752785, 1528802}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{42706, 41995, 38337}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{174639, 169107, 95045}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{350215, 348151, 1676816}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{60699, 91030, 57589}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{28803, 21794, 1}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{209164, 304427, 163092}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{20695, 17627, 1}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{119772, 74097, 1}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{20279, 25434, 1}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{111275, 106336, 9936}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{32130, 28850, 1}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{559953, 504319, 109109}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{32131, 32176, 1}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{61237, 60509, 9022}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{504151, 373316, 63589}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{50206, 51316, 16818}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{1, 3.67*^7, 1.59*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{86170, 77510, 1}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{63489, 72560, 20700}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{143757, 131080, 39435}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{42599, 43440, 1}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{135182, 127867, 72635}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{33126, 50459, 21680}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2115975, 2196140, 1630604}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{27518, 18898, 1}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{107048, 74788, 36287}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{295793, 283749, 186477}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{381446, 239305, 235316}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1474312, 1047401, 1340055}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{124911, 74633, 145588}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{1768441, 1873885, 1}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{352334, 278116, 132479}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{46691, 37958, 69354}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1819873, 1484760, 1897710}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{534885, 361484, 173842}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{685106, 715798, 457929}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{937802, 658397, 245410}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{30614, 19884, 17047}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{1, 1, 38618}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{1, 1, 284914}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{55779, 1, 85670}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{374676, 218204, 1}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{1, 81722, 1}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{438761, 38216, 57840}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{3256452, 510731, 1}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{2479028, 1808539, 1790293}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{930555, 784576, 1145780}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{69294, 44219, 14356}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{3505632, 2602637, 743791}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{1, 1, 49106}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{1, 492286, 93379}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{42851, 20759, 1}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{47426, 33573, 1}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{525769, 1, 122028}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{92139, 54866, 39075}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{2658721, 1887138, 1110503}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{48267, 27757, 1}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{1, 1, 15011}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{321863, 270096, 134105}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{372524, 256005, 93000}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{496267, 345408, 379393}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 427636, 428646}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{1.37*^7, 7772831, 9418850}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{59271, 64946, 27114}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{812108, 688707, 268759}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{52522, 44283, 1}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1, 1261314, 1260730}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{259810, 254933, 59029}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{38881, 1, 48043}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{191389, 173053, 69679}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{49299, 74408, 1}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{165014, 236002, 1}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{306258, 538603, 1}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{2195952, 1528882, 2153762}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{1103695, 613506, 975723}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{717426, 595100, 577830}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{67000, 32661, 75136}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{1, 45957, 1}, {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", 
      ""}}, {440.3865, 14.528334, "Meta"} -> {{90528, 69246, 77661}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{16728, 26425, 47534}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1, 1143169, 1691917}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{32760, 27690, 18660}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=53.24, overall=26.62, \
Lipid ID=, KEGG ID= ]", ""}}, {298.2874, 14.552748, "Meta"} -> 
    {{191072, 175758, 66708}, {"11-methyl-octadecanoic acid [ C19 H38 O2, \
db=98.41, overall=98.42, mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, 
   {557.3389, 14.547319, "Meta"} -> {{45657, 1, 1}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{1302607, 1010959, 953742}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{561784, 243691, 503954}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{161700, 97031, 123789}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{409283, 277112, 1}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{237403, 184840, 29407}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{26133, 23103, 1}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{177678, 124393, 22069}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{129437, 65724, 1}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{58525, 47868, 19588}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{2134759, 1621683, 1908456}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{689774, 480372, 644212}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{117629, 179699, 1}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{1, 878608, 1484029}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{103377, 78259, 23323}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{147196, 152067, 36453}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{641419, 662072, 229206}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{23886, 39722, 31194}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{240634, 146605, 112972}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{104861, 61572, 159226}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{222985, 183938, 1}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{213236, 190143, 195813}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{94683, 116008, 1}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{58524, 82437, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{28777, 34222, 1}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{77106, 80620, 20691}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{3.*^7, 2.44*^7, 4.01*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{157957, 225606, 345525}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{30097, 40672, 31812}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{174167, 169265, 150624}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{1, 63058, 78403}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{69788, 73893, 16269}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{100203, 57895, 1}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{26047, 23208, 1}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{25490, 24485, 1}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{143585, 122044, 84076}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{103388, 73747, 49008}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{121402, 88027, 112029}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{1, 113824, 115284}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{2187362, 1743061, 1543761}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{1, 780948, 691482}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{189051, 208404, 1}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{1037826, 960231, 969786}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{134758, 188587, 168980}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{776015, 617194, 74080}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{2181438, 1892884, 1483583}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{89800, 68992, 62573}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{102390, 109866, 69251}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{130537, 125707, 43041}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{291977, 273653, 42706}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{86585, 197404, 1}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{72068, 1, 89977}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{574703, 479192, 1}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{32870, 36490, 1}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{103075, 95539, 1}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{32912, 25477, 1}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{23937, 21474, 1}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{390711, 307473, 43984}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{47078, 43313, 1}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{110612, 87976, 42476}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{99324, 73894, 1}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{155065, 143536, 37440}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{163150, 150040, 30188}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{51079, 48718, 1}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{96680, 94696, 60799}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{33833, 36160, 1}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{3.43*^7, 2.81*^7, 1.6*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{199962, 129102, 64545}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{28789, 29312, 1}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{114889, 1, 69100}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{117629, 1, 71298}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{529306, 483633, 401730}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{462463, 314894, 341051}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{58742, 28999, 26085}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{207968, 272055, 228798}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1814938, 1751760, 1126285}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{105399, 89688, 82168}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{864547, 967812, 1053764}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{956963, 801662, 759774}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{89383, 96746, 132508}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{127906, 115840, 22287}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{69541, 43954, 38383}, 
     {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {312.3037, 14.724779, "Meta"} -> {{904153, 903251, 158023}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{134728, 132494, 30191}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{112381, 101560, 1}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{56022, 1, 50277}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{276066, 247249, 124472}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{76644, 62874, 1}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{630554, 1, 341023}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{84121, 67827, 99474}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{123390, 76897, 1}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{5952363, 4770746, 4493660}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1436560, 1229181, 754870}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{41204, 44469, 1}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{237366, 156972, 26920}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{353306, 306751, 67316}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{105249, 87870, 18284}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{490731, 438849, 110140}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{144677, 131959, 24981}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{51112, 35073, 1}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{418512, 325828, 126347}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{75582, 60474, 1}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{96115, 100100, 13992}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{280372, 220583, 55525}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{171819, 127361, 87453}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{546871, 429407, 93759}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{298203, 203765, 1}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch\
olan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid ID=, \
KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{1, 19343, 38579}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{294557, 1, 192626}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{1418570, 736960, 560884}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{79949, 129544, 1}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{1194819, 1117489, 853090}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{226298, 197956, 1}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{469763, 296941, 31352}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{79445, 55745, 1}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{1, 1, 63804}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{36381, 38722, 1}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{194971, 192048, 142078}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{44589, 43771, 1}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{213040, 200666, 19364}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{1, 22927, 18444}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{48534, 40323, 11114}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{68313, 56940, 16313}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2180012, 1991738, 646968}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{38658, 32158, 15108}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{1, 522281, 569483}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{101233, 62413, 32209}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{98884, 64807, 1}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{37164, 29448, 32502}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{162974, 1, 60190}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{312472, 191820, 40707}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{78075, 63735, 1}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{370632, 228229, 65689}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{442541, 303028, 980968}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{335695, 248014, 50025}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{344612, 135873, 226395}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{270664, 257721, 28751}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2875463, 2626468, 914046}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{41282, 41215, 1}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{35980, 27700, 1}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{1, 48584, 1}, {"Idebenone Metabolite \
(Benzenedecanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, \
db=60.60, overall=61.11, mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", 
      "84978-42-7"}}, {842.5774, 14.917781, "Meta"} -> 
    {{232737, 260292, 208152}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{301932, 219671, 40513}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{4254869, 2777915, 3109014}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{1, 1, 48371}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{116494, 90967, 12264}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{19162, 13282, 1}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{97810, 33864, 168445}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{82582, 64715, 1}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{123120, 98990, 1}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{91450, 88071, 1}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{225608, 210986, 27034}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{1370092, 1126787, 164478}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{23723, 17517, 37559}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{35050, 24017, 1}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{123016, 85526, 1}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{964691, 866461, 255949}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{305524, 269784, 36632}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{104385, 105123, 65973}, 
     {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", ""}}, 
   {552.4757, 14.950529, "Meta"} -> {{303844, 243843, 201739}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{25180, 18128, 1}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{50270, 45121, 1}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", ""}}, 
   {1434.2803, 14.974815, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{145292, 115171, 16337}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{1369158, 1125706, 1}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{32102, 22454, 1}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{205023, 179440, 1}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{18943, 19000, 22689}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{89942, 67841, 1}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{2584549, 2042518, 837496}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{1, 1, 1}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{646745, 532767, 1978587}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{25663, 27737, 245476}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{106433, 1, 24926}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{247931, 244257, 65768}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{102018, 104212, 75515}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{439948, 329002, 576982}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{36611, 32230, 1}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{243657, 224917, 41340}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{1, 11281, 1}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{737911, 394981, 105341}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{163425, 45459, 1}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2447403, 2149195, 1}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{52595, 50482, 1}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{1168074, 771962, 315747}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{85351, 74942, 26888}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{413550, 354772, 41686}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{128711, 109787, 21129}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{936662, 806570, 131270}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{54747, 46672, 1}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{8294975, 6745771, 1846601}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{194906, 96676, 61897}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{70419, 58192, 1}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{64032, 32345, 1}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{52994, 55765, 1}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{461626, 436691, 111379}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{123616, 123274, 1}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{316500, 136006, 1}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{28956, 39984, 36564}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{33619, 69069, 1}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3917486, 3658370, 2029486}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{65287, 59268, 49275}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{97211, 77444, 1}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{94138, 83889, 19038}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{1, 52262, 24750}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{71081, 39019, 59788}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{47593, 53591, 1}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{1, 1, 1}, {"Lithocholic acid taurine \
conjugate [ C26 H45 N O5 S, db=94.31, overall=94.51, mfg=94.71, HMP \
ID=HMDB00722, KEGG ID= ]", ""}}, {560.4804, 15.112883, "Meta"} -> 
    {{1552811, 1406402, 393566}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{44701, 38508, 11156}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{31629, 39698, 1}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{69581, 59616, 1}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{204739, 122525, 107913}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{89363, 100647, 30520}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{44685, 37329, 1}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{64661, 21661, 190846}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{149781, 118161, 11756}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{37876, 32704, 1}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{443632, 359410, 1}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1592909, 1345655, 657352}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{603282, 452317, 9395}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{32729, 37327, 96122}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{41452, 44818, 38214}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2586736, 1367818, 1}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{69669, 73740, 1}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{4545869, 3694488, 99595}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1843121, 1666206, 1014637}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{472870, 384945, 1}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{80953, 92041, 28984}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{32261, 24067, 27418}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{318697, 241241, 1}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.91*^7, 1.92*^7, 494681}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{93784, 75994, 1}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{30688, 24147, 36209}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{37067, 31204, 1}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{298395, 248416, 1}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{29110, 33540, 142878}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{157894, 139704, 1}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{64881, 25042, 1}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{567067, 495372, 19285}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{56231, 35450, 51366}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{63610, 73518, 92243}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{33689, 31563, 1}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{409153, 318471, 1}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{142618, 148776, 1}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{30339, 31723, 33322}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{83944, 63428, 1}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{183491, 138278, 81616}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{95144, 91366, 1}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{9845443, 9069802, 328908}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{297251, 248226, 30258}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{6082689, 5775632, 1}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 P, \
db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{51142, 42076, 1}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{216964, 187973, 1}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{36430, 38802, 1}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{119326, 112200, 1}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{1, 1, 40265}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{14280, 15706, 1}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{141069, 114339, 1}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{3447619, 2705818, 475095}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{3006182, 2790583, 1}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{39370, 36197, 1}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{388853, 339067, 1}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{52046, 28335, 25548}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1585826, 1588088, 1}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{26449, 24974, 114437}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{1.17*^7, 6191472, 586248}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{751992, 758180, 283125}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{129047, 120295, 1}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{264195, 182453, 1}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{308407, 326070, 141247}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{20319, 17175, 1}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{16711, 23981, 64636}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{37774, 47923, 1}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{263427, 213862, 41171}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{35559, 42359, 26263}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{42829, 28935, 1}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{535671, 604519, 496339}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{1, 49949, 209546}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1280298, 1266955, 1290944}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{4065795, 3446309, 534441}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{35976, 28683, 40322}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{524697, 450833, 87478}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{105115, 98912, 40950}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{1381282, 978547, 133258}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{267834, 270178, 92305}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2869724, 2861514, 2738879}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{29401, 26388, 1}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{5191108, 4572333, 574315}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1186250, 1248141, 165211}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{159672, 163167, 20439}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{267832, 270423, 22240}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{72453, 71095, 159104}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{120199, 102582, 42678}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{32028, 26214, 1}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{683778, 582943, 53452}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{942973, 962734, 119807}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{28004, 34625, 1}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{85762, 71188, 1}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{377407, 393497, 287134}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{1957495, 2001411, 159280}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{90553, 75158, 1}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{988604, 995867, 88669}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{44753, 51247, 42166}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1104561, 1057324, 845597}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{207451, 156703, 1}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{175307, 154600, 127585}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{206007, 172541, 101742}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{29044, 21301, 1}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{217320, 257769, 22454}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{178407, 80531, 102287}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{56400, 86053, 1}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{121572, 109716, 70538}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{223549, 226842, 1}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{2294361, 2008648, 162902}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{73083, 75849, 1}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1625130, 1638416, 1526241}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{151261, 140693, 1}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{6339805, 4870315, 447355}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{21700, 18392, 1}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{40476, 32058, 1}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{191311, 199234, 157625}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{990501, 852473, 92482}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{230243, 332607, 24844}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{30903, 44722, 1}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{921896, 711278, 88549}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1035210, 1078789, 823497}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{23244, 20124, 1}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{150341, 140389, 15590}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{77720, 63218, 1}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{2856011, 2878722, 1625244}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{343415, 460841, 24611}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{61586, 46169, 1}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{123200, 177618, 1}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{178396, 143360, 1}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{503749, 427995, 314842}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{132601, 118835, 1}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{626459, 911055, 36119}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{215493, 1, 1}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{193380, 222047, 111187}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{82076, 93212, 46438}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{184305, 145969, 1}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{115121, 81145, 1}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{257366, 161319, 38288}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{93865, 85930, 25106}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1075747, 1166765, 493651}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{220284, 176941, 106352}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{149282, 346111, 1}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{82140, 62033, 1}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{30174, 36104, 123054}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{255078, 263502, 21984}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{91344, 73232, 1}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{71463, 52896, 1}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{463935, 339157, 32469}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{49610, 30836, 1}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{285681, 233468, 118952}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{198377, 111258, 127135}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{20167, 13489, 1}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{74006, 65344, 1}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{495677, 455800, 184523}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{42007, 28752, 1}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{755615, 570380, 52732}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{286958, 367569, 17337}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{19481, 18881, 1}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{91762, 67951, 1}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{62883, 49500, 1}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{454102, 650854, 32882}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{22538, 34723, 1}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{22523, 59839, 1}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{1447510, 1657975, 500062}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{157178, 143382, 51988}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{411749, 303858, 25593}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1898646, 1495040, 595028}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{205907, 191277, 50290}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{38805, 29807, 1}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{134900, 76551, 1}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{245746, 221886, 74167}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{531248, 503661, 36238}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{54983, 31240, 1}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{296075, 237769, 19887}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{511054, 418073, 1}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{167731, 144492, 34363}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{71173, 81050, 129429}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{556622, 1243745, 80160}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{290052, 294509, 49580}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{253034, 184845, 55255}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{44979, 71290, 1}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{951707, 592645, 128895}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{47390, 29808, 1}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{71053, 142974, 15708}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{230490, 165999, 17785}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{139301, 110478, 1}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{166073, 137764, 10431}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{140269, 133956, 1}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{448164, 359125, 74051}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{363900, 318046, 56565}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{99107, 74023, 26536}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{78777, 61678, 1}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{522186, 375558, 39051}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{34895, 22009, 1}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{769621, 488503, 46595}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{385146, 375513, 1}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{53448, 39796, 1}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1585917, 1118797, 1398022}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{87822, 158569, 24819}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{583273, 1404130, 96401}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{107276, 66486, 1}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{97958, 176684, 16203}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{421129, 376379, 52836}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{143200, 108238, 1}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{41406, 22786, 1}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{594802, 488249, 70044}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{16868, 18020, 1}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{29493, 25048, 26751}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{23430, 21880, 20458}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{22294, 21621, 20737}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{24024, 23063, 1}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{21830, 18022, 1}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{22347, 22316, 22155}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{16540, 15828, 14789}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{159144, 185205, 168855}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{242573, 231821, 208968}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{204934, 1, 159579}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{334111, 1, 334858}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{37946, 32013, 33354}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{239645, 227397, 286082}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{76187, 71291, 116981}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{88958, 58633, 79512}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{52431, 40448, 77460}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{37819, 1, 25890}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{129945, 116226, 136617}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{165812, 139164, 143866}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{706887, 1, 1}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{236887, 1, 223759}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{67281, 91743, 50352}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{94554, 79746, 88591}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{58550, 1, 1}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{372696, 345833, 343378}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{20358, 17781, 19879}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{27217, 26154, 42834}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{27026, 21860, 35133}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{40707, 33922, 30911}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{65519, 58456, 62961}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{45052, 41415, 1}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{132653, 115895, 131268}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{240351, 232885, 222144}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{27718, 19455, 45225}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{350706, 313436, 390719}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{63651, 68710, 49766}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{25775, 1, 24980}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{48197, 40782, 45952}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{26965, 1, 25012}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{14380, 1, 1}, 
     {"hydroxy acid of Etoposide [ C29 H34 O14, db=66.35, overall=66.79, \
mfg=67.24, KEGG ID=, CAS ID=172138-89-5 ]", "172138-89-5"}}, 
   {430.2027, 12.269668, "Meta"} -> {{18500, 1, 24356}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", ""}}, 
   {446.3025, 12.645787, "Meta"} -> {{10236, 1, 1}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{27479, 21309, 31091}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{17995, 16431, 52668}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{28542, 30818, 27430}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{27302, 26750, 41637}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{152506, 135120, 132892}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{44365, 38504, 45816}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{419095, 353801, 84104}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{36156, 45831, 1}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{93724, 105654, 1}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{160554, 148926, 24626}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{22101, 30800, 81675}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{186186, 141991, 145464}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{81204, 97455, 96079}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{33224, 21010, 54022}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{71292, 74588, 73327}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{48920, 40634, 1}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{92707, 91384, 129790}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{48020, 39452, 1}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{71483, 63115, 65080}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{21013, 33950, 24946}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{18695, 17399, 17971}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{45935, 41972, 46530}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{169351, 1, 181604}, 
     {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{89146, 67560, 1}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{12757, 1, 21771}, 
     {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", ""}}, 
   {400.3356, 14.128222, "Meta"} -> {{47531, 43581, 74501}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{465076, 575161, 823993}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{124259, 117184, 19623}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{16572, 16523, 18626}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{28906, 26419, 1}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{103768, 121968, 31903}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{142881, 1, 82573}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{699936, 665974, 198037}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{19387, 125244, 132367}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{135519, 1, 159567}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1213953, 1234901, 1341656}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{167581, 1, 90130}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{196252, 1, 145919}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{204139, 101443, 71540}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{93836, 1, 132445}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{50613, 28094, 36591}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{27064, 27295, 62487}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{617968, 568339, 34900}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{31492, 33372, 173053}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{91017, 60269, 162773}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{65615, 65242, 1}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{31526, 30494, 55567}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{259806, 203659, 225040}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{50495, 34963, 1}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{151658, 135983, 190361}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{533708, 394491, 1}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{1, 50860, 1}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 93208, 121191}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{1, 18506, 1}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{1, 1, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{1, 319895, 49371}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{1, 1, 72690}, {"9-hydroxy-5Z-nonenoic \
acid [ C9 H16 O3, db=65.72, overall=66.15, mfg=66.58, Lipid ID=, KEGG ID= ]", 
      ""}}, {1151.0627, 9.671202, "Meta"} -> 
    {{1, 1, 1}, {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", 
      ""}}, {391.2936, 11.111439, "Meta"} -> {{1, 1, 37610}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{1, 25702, 31456}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{1, 66747, 172979}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{1, 75199, 147852}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{1, 24490, 62701}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{1, 1, 332751}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{1, 1, 53857}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{1, 1, 46041}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{1, 20754, 1}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{1, 370799, 71246}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.93, overall=29.96, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {556.4324, 14.215158, "Meta"} -> 
    {{1, 1, 36882}, {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", 
      ""}}, {544.4117, 14.453874, "Meta"} -> {{1, 1, 78435}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{1, 235047, 70029}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{1, 126539, 91387}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{1, 429332, 512686}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{1, 38766, 82831}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{1, 27536, 38086}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{1, 9517, 1}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{1, 27547, 1}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{1, 113232, 111967}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>, 
 "20" -> <|{457.0024, 0.34764, "Meta"} -> {{20788, 12425, 1}, 
     {" [ C16 H11 N9 S4, db=0.00, overall=47.55, mfg=95.11 ]", ""}}, 
   {530.0453, 0.35665718, "Meta"} -> {{26294, 26976, 20500}, 
     {" [ C23 H18 N2 O9 S2, db=0.00, overall=44.30, mfg=88.61 ]", ""}}, 
   {694.0508, 0.3540571, "Meta"} -> {{1, 14005, 12819}, 
     {" [ C24 H18 N14 O4 S4, db=0.00, overall=41.90, mfg=83.80 ]", ""}}, 
   {776.0537, 0.3550645, "Meta"} -> {{11105, 12546, 1}, 
     {" [ C34 H32 O11 S5, db=0.00, overall=41.30, mfg=82.61 ]", ""}}, 
   {612.0484, 0.3547714, "Meta"} -> {{18527, 16961, 17811}, 
     {" [ C31 H20 N2 O6 S3, db=0.00, overall=43.48, mfg=86.96 ]", ""}}, 
   {448.0424, 0.35930556, "Meta"} -> {{66151, 65649, 55028}, 
     {" [ C20 H20 N2 O2 S4, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.0395, 0.36149997, "Meta"} -> {{37425, 40736, 35288}, 
     {" [ C13 H14 N6 O S3, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {284.0371, 0.35896963, "Meta"} -> {{33843, 40434, 31706}, 
     {" [ C13 H16 O S3, db=0.00, overall=39.33, mfg=78.66 ]", ""}}, 
   {512.0254, 0.3604074, "Meta"} -> {{12381, 12056, 9242}, 
     {" [ C24 H8 N4 O10, db=0.00, overall=35.06, mfg=70.12 ]", ""}}, 
   {788.1139, 0.3647857, "Meta"} -> {{10061, 9212, 9562}, 
     {" [ C25 H20 N14 O17, db=0.00, overall=35.98, mfg=71.96 ]", ""}}, 
   {802.1298, 0.3651389, "Meta"} -> {{23865, 21603, 21378}, 
     {" [ C28 H34 O27, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {884.1327, 0.36462864, "Meta"} -> {{16537, 15828, 15643}, 
     {" [ C28 H32 N6 O27, db=0.00, overall=46.84, mfg=93.69 ]", ""}}, 
   {720.127, 0.36544445, "Meta"} -> {{23262, 22521, 20141}, 
     {" [ C21 H36 O25 S, db=0.00, overall=48.03, mfg=96.07 ]", ""}}, 
   {474.1176, 0.36611766, "Meta"} -> {{26616, 24680, 25074}, 
     {" [ C24 H18 N4 O7, db=0.00, overall=37.02, mfg=74.05 ]", ""}}, 
   {966.1346, 0.36462072, "Meta"} -> {{11528, 11228, 10389}, 
     {" [ C42 H18 N18 O12, db=0.00, overall=31.43, mfg=62.86 ]", ""}}, 
   {1514.0966, 0.36623535, "Meta"} -> {{1, 18989, 17400}, {"", ""}}, 
   {2662.138, 0.36875007, "Meta"} -> {{38149, 35314, 1}, {"", ""}}, 
   {2334.1267, 0.3689167, "Meta"} -> {{54748, 54108, 52540}, {"", ""}}, 
   {638.124, 0.36547056, "Meta"} -> {{1, 20796, 21419}, 
     {" [ C19 H26 N8 O15 S, db=0.00, overall=49.14, mfg=98.28 ]", ""}}, 
   {2006.1132, 0.36902776, "Meta"} -> {{84384, 72699, 69019}, {"", ""}}, 
   {2170.1218, 0.36908332, "Meta"} -> {{68943, 61018, 62407}, {"", ""}}, 
   {2744.139, 0.36934292, "Meta"} -> {{53406, 49030, 53035}, {"", ""}}, 
   {1842.1083, 0.3691389, "Meta"} -> {{82336, 74431, 70542}, {"", ""}}, 
   {2498.1316, 0.36883342, "Meta"} -> {{48349, 44672, 41660}, {"", ""}}, 
   {60.0215, 0.3716111, "Meta"} -> {{498680, 477141, 518565}, 
     {"Glycolaldehyde [ C2 H4 O2, db=86.65, overall=43.33, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {556.121, 0.3662, "Meta"} -> 
    {{25587, 25642, 19625}, 
     {" [ C24 H16 N10 O7, db=0.00, overall=36.44, mfg=72.88 ]", ""}}, 
   {2416.1277, 0.36951432, "Meta"} -> {{110110, 102382, 104278}, {"", ""}}, 
   {1678.1023, 0.36894444, "Meta"} -> {{56596, 52784, 53308}, {"", ""}}, 
   {2252.1208, 0.36971426, "Meta"} -> {{157311, 138401, 139253}, {"", ""}}, 
   {2580.1338, 0.36937147, "Meta"} -> {{83390, 73992, 77264}, {"", ""}}, 
   {2432.103, 0.37015387, "Meta"} -> {{19856, 14459, 1}, {"", ""}}, 
   {1924.1097, 0.36982358, "Meta"} -> {{308498, 279576, 281319}, {"", ""}}, 
   {3072.151, 0.36923996, "Meta"} -> {{1, 20241, 1}, {"", ""}}, 
   {2088.1162, 0.3699445, "Meta"} -> {{214592, 197157, 202691}, {"", ""}}, 
   {228.1088, 0.36896876, "Meta"} -> {{41077, 49304, 46039}, 
     {" [ C6 H12 N8 O2, db=0.00, overall=41.19, mfg=82.38 ]", ""}}, 
   {880.0522, 0.37008, "Meta"} -> {{1, 370679, 353738}, 
     {" [ C28 H24 N4 O29, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {2908.146, 0.36945167, "Meta"} -> {{40130, 32487, 1}, {"", ""}}, 
   {716.0465, 0.37041676, "Meta"} -> {{823295, 766817, 764622}, 
     {" [ C25 H20 N2 O23, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {798.0494, 0.3700834, "Meta"} -> {{504380, 459087, 460106}, 
     {" [ C25 H18 N8 O23, db=0.00, overall=44.39, mfg=88.77 ]", ""}}, 
   {634.0434, 0.37080553, "Meta"} -> {{907300, 845787, 858311}, 
     {" [ C18 H22 N2 O21 S, db=0.00, overall=45.03, mfg=90.06 ]", ""}}, 
   {1060.0312, 0.3726857, "Meta"} -> {{25649, 25469, 24845}, 
     {" [ C36 H20 N16 O18 S3, db=0.00, overall=40.71, mfg=81.42 ]", ""}}, 
   {306.031, 0.3715, "Meta"} -> {{1492296, 1381451, 1381373}, 
     {"Pelargonidin [ C15 H11 Cl O5, db=62.25, overall=62.88, mfg=63.51, HMP \
ID=HMDB03263, KEGG ID= ]", ""}}, {388.0339, 0.37155554, "Meta"} -> 
    {{1735208, 1581144, 1610702}, 
     {" [ C12 H12 N4 O9 S, db=0.00, overall=42.47, mfg=84.94 ]", ""}}, 
   {552.0404, 0.37105554, "Meta"} -> {{1173392, 1101517, 1077002}, 
     {" [ C16 H12 N10 O11 S, db=0.00, overall=44.17, mfg=88.34 ]", ""}}, 
   {470.0372, 0.37141666, "Meta"} -> {{1340232, 1261416, 1238405}, 
     {" [ C15 H18 O15 S, db=0.00, overall=44.38, mfg=88.76 ]", ""}}, 
   {1858.0804, 0.37100002, "Meta"} -> {{20458, 17779, 12911}, {"", ""}}, 
   {224.0276, 0.37149996, "Meta"} -> {{709238, 684318, 671827}, 
     {"Cys Cys [ C6 H12 N2 O3 S2, db=72.71, overall=73.63, mfg=74.54 ]", 
      ""}}, {486.0104, 0.37277782, "Meta"} -> {{68232, 56737, 59937}, 
     {" [ C18 H14 O14 S, db=0.00, overall=44.01, mfg=88.01 ]", ""}}, 
   {142.0238, 0.3719722, "Meta"} -> {{3448000, 3314933, 3420723}, 
     {" [ C6 H6 O4, db=0.00, overall=33.95, mfg=67.89 ]", ""}}, 
   {896.0256, 0.37273526, "Meta"} -> {{48271, 1, 41715}, 
     {" [ C31 H28 O27 S2, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {568.0136, 0.3728889, "Meta"} -> {{78390, 67062, 71187}, 
     {" [ C17 H16 N2 O18 S, db=0.00, overall=45.49, mfg=90.97 ]", ""}}, 
   {814.0227, 0.37314287, "Meta"} -> {{58838, 49786, 50276}, 
     {" [ C24 H30 O25 S3, db=0.00, overall=44.83, mfg=89.65 ]", ""}}, 
   {1142.034, 0.37270594, "Meta"} -> {{19778, 20474, 18005}, 
     {" [ C38 H30 N8 O28 S3, db=0.00, overall=44.60, mfg=89.19 ]", ""}}, 
   {732.0198, 0.3725556, "Meta"} -> {{73019, 66189, 65947}, 
     {" [ C21 H24 N4 O19 S3, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {978.0287, 0.37263885, "Meta"} -> {{36430, 31818, 33788}, 
     {" [ C31 H26 N6 O27 S2, db=0.00, overall=42.94, mfg=85.87 ]", ""}}, 
   {650.0166, 0.37277776, "Meta"} -> {{77371, 67409, 67302}, 
     {" [ C21 H18 N2 O20 S, db=0.00, overall=45.81, mfg=91.61 ]", ""}}, 
   {404.0074, 0.37300003, "Meta"} -> {{56237, 51142, 46906}, 
     {" [ C11 H16 O12 S2, db=0.00, overall=47.03, mfg=94.06 ]", ""}}, 
   {1982.0687, 0.3757097, "Meta"} -> {{15725, 1, 1}, {"", ""}}, 
   {1818.0673, 0.37578574, "Meta"} -> {{16751, 19605, 15761}, {"", ""}}, 
   {1900.066, 0.3781428, "Meta"} -> {{17384, 1, 15687}, {"", ""}}, 
   {1736.0562, 0.37840003, "Meta"} -> {{17486, 15044, 1}, {"", ""}}, 
   {363.9894, 0.38877416, "Meta"} -> {{1, 208582, 202064}, 
     {"Rhein sulfate [ C15 H8 O9 S, db=65.03, overall=66.23, mfg=67.42, KEGG \
ID=, CAS ID=190605-04-0 ]", "190605-04-0"}}, 
   {117.9802, 0.39891666, "Meta"} -> {{728013, 730165, 695174}, 
     {" [ C4 H3 Cl O2, db=0.00, overall=39.00, mfg=78.01 ]", ""}}, 
   {397.9037, 0.40033332, "Meta"} -> {{174660, 184452, 177573}, 
     {" [ C9 H9 Cl3 O9 S, db=0.00, overall=47.05, mfg=94.10 ]", ""}}, 
   {257.9422, 0.40074196, "Meta"} -> {{139333, 148706, 140420}, 
     {" [ C9 H4 Cl2 N2 O S, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {629.7379, 0.40993336, "Meta"} -> {{114324, 134335, 128453}, {"", ""}}, 
   {647.7087, 0.41022223, "Meta"} -> {{38122, 36354, 35987}, {"", ""}}, 
   {665.6494, 0.41285187, "Meta"} -> {{61529, 50813, 56183}, {"", ""}}, 
   {491.7738, 0.41348153, "Meta"} -> {{112229, 107262, 92256}, 
     {" [ C11 H2 Cl2 O8 S5, db=0.00, overall=41.70, mfg=83.40 ]", ""}}, 
   {315.9007, 0.40702778, "Meta"} -> {{346331, 338659, 341497}, 
     {" [ C4 H10 Cl2 N2 O2 S4, db=0.00, overall=43.99, mfg=87.99 ]", ""}}, 
   {549.7324, 0.41289997, "Meta"} -> {{95277, 89677, 1}, 
     {" [ C13 H Cl3 O8 S5, db=0.00, overall=38.40, mfg=76.80 ]", ""}}, 
   {291.8564, 0.41189662, "Meta"} -> {{277348, 273000, 339993}, {"", ""}}, 
   {607.691, 0.41273075, "Meta"} -> {{125622, 123850, 1}, {"", ""}}, 
   {455.8621, 0.40568006, "Meta"} -> {{126394, 123932, 1}, 
     {" [ C13 H7 Cl3 N2 O4 S3, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {373.8593, 0.4113235, "Meta"} -> {{215053, 207801, 206156}, 
     {" [ C6 H9 Cl3 N2 O2 S4, db=0.00, overall=42.42, mfg=84.83 ]", ""}}, 
   {747.6524, 0.41509682, "Meta"} -> {{26990, 27303, 31942}, 
     {" [ C44 H91 Cl2 N3 O, db=0.00, overall=27.89, mfg=55.79 ]", ""}}, 
   {322.0892, 0.4402413, "Meta"} -> {{31889, 36490, 1}, 
     {"Isosorbide-2-glucuronide [ C12 H18 O10, db=60.03, overall=60.67, \
mfg=61.31, KEGG ID=, CAS ID=29542-01-6 ]", "29542-01-6"}}, 
   {240.0857, 0.43883324, "Meta"} -> {{67067, 76307, 76615}, 
     {" [ C9 H12 N4 O4, db=0.00, overall=48.27, mfg=96.54 ]", ""}}, 
   {114.033, 0.43957695, "Meta"} -> {{66874, 1, 60532}, 
     {" [ C5 H6 O3, db=0.00, overall=39.13, mfg=78.26 ]", ""}}, 
   {72.022, 0.44083336, "Meta"} -> {{105995, 134962, 115112}, 
     {" [ C3 H4 O2, db=0.00, overall=37.57, mfg=75.13 ]", ""}}, 
   {162.054, 0.4419687, "Meta"} -> {{92889, 93756, 76687}, 
     {"2-Hydroxyadipic acid [ C6 H10 O5, db=66.85, overall=66.79, mfg=66.72, \
HMP ID=HMDB00321, KEGG ID= ]", ""}}, {90.0325, 0.44100007, "Meta"} -> 
    {{1391891, 1419269, 1388961}, {"Lactic acid [ C3 H6 O3, db=95.15, \
overall=92.44, mfg=90.22, KEGG ID=C00186, CAS ID=50-21-5 ]", "50-21-5"}}, 
   {360.1282, 0.44441175, "Meta"} -> {{107348, 96646, 97197}, 
     {" [ C13 H20 N4 O8, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {326.134, 0.45345157, "Meta"} -> {{47804, 1, 47578}, 
     {"Gly His Asn [ C12 H18 N6 O5, db=76.76, overall=77.74, mfg=78.72 ]", 
      ""}}, {200.0465, 0.46338463, "Meta"} -> {{181063, 1, 1}, 
     {" [ C7 H9 Cl N4 O, db=0.00, overall=44.89, mfg=89.79 ]", ""}}, 
   {216.0412, 0.4630277, "Meta"} -> {{7234686, 7232255, 6814902}, 
     {"Methoxsalen [ C12 H8 O4, db=53.88, overall=53.14, mfg=52.41, KEGG \
ID=C01864, CAS ID=298-81-7 ]", "298-81-7"}}, {150.0538, 0.4622121, "Meta"} -> 
    {{102495, 56849, 54870}, {"1-Methylhypoxanthine [ C6 H6 N4 O, db=80.19, \
overall=77.83, mfg=82.46, KEGG ID=, CAS ID=1125-39-9 ]", "1125-39-9"}}, 
   {136.0382, 0.46513885, "Meta"} -> {{154028, 203238, 154374}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=94.36, overall=94.95, mfg=95.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {192.0646, 0.46539998, "Meta"} -> 
    {{54726, 38742, 52303}, {"Quinic acid [ C7 H12 O6, db=80.18, \
overall=81.10, mfg=82.01, KEGG ID=C00296, CAS ID=77-95-2 ]", "77-95-2"}}, 
   {368.1161, 0.46997148, "Meta"} -> {{50869, 1, 48560}, 
     {" [ C10 H24 O14, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {466.9582, 0.46816128, "Meta"} -> {{1, 82075, 1}, 
     {" [ C9 H20 Cl3 N3 O6 S3, db=0.00, overall=43.20, mfg=86.40 ]", ""}}, 
   {408.9988, 0.46913895, "Meta"} -> {{106438, 93769, 118837}, 
     {" [ C14 H14 Cl3 N3 O5, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {351.0404, 0.47036007, "Meta"} -> {{116851, 1, 1}, 
     {" [ C13 H11 Cl2 N7 O, db=0.00, overall=44.47, mfg=88.94 ]", ""}}, 
   {293.0811, 0.47077766, "Meta"} -> {{266589, 135215, 310211}, 
     {" [ C15 H16 Cl N O3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {278.0828, 0.48142853, "Meta"} -> {{51004, 67172, 51325}, 
     {"Sulfadimidine [ C12 H14 N4 O2 S, db=77.19, overall=78.12, mfg=79.04, \
KEGG ID=, CAS ID=57-68-1 ]", "57-68-1"}}, {198.04, 0.48414284, "Meta"} -> 
    {{133638, 244390, 328737}, {"", ""}}, {135.9028, 0.4845588, "Meta"} -> 
    {{270965, 96010, 71646}, {"", ""}}, {188.0507, 0.49413893, "Meta"} -> 
    {{852958, 1102173, 908153}, 
     {" [ C8 H12 O3 S, db=0.00, overall=46.00, mfg=92.00 ]", ""}}, 
   {161.8498, 0.5123846, "Meta"} -> {{294257, 216028, 541386}, {"", ""}}, 
   {196.819, 0.5018611, "Meta"} -> {{2119423, 1452713, 1619163}, {"", ""}}, 
   {541.0492, 0.49920592, "Meta"} -> {{25113, 26314, 27455}, 
     {" [ C23 H17 Cl2 N7 O3 S, db=0.00, overall=42.14, mfg=84.29 ]", ""}}, 
   {283.9465, 0.50188893, "Meta"} -> {{217876, 222109, 182907}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {147.9911, 0.50758827, "Meta"} -> {{248812, 243861, 231291}, 
     {" [ C5 H5 Cl O3, db=0.00, overall=42.31, mfg=84.63 ]", ""}}, 
   {225.9877, 0.50244445, "Meta"} -> {{557878, 562861, 493390}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {399.864, 0.50525707, "Meta"} -> {{140558, 152174, 124848}, 
     {" [ C9 H11 Cl3 O3 S4, db=0.00, overall=42.51, mfg=47.08 ]", ""}}, 
   {483.0911, 0.49868003, "Meta"} -> {{17173, 1, 19743}, 
     {" [ C17 H18 Cl N7 O8, overall=44.29, mfg=88.58 ]", ""}}, 
   {473.9571, 0.50594443, "Meta"} -> {{92762, 80143, 72062}, 
     {" [ C14 H8 Cl2 N6 O7 S, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {415.9985, 0.5053889, "Meta"} -> {{125527, 110867, 91618}, 
     {" [ C17 H9 Cl N4 O5 S, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {548.0494, 0.5069375, "Meta"} -> {{25267, 19330, 20813}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=36.18, mfg=72.35 ]", ""}}, 
   {358.0398, 0.50688887, "Meta"} -> {{375202, 363766, 332950}, 
     {"alpha-Hydroxytriazolam [ C17 H12 Cl2 N4 O, db=58.42, overall=53.01, \
mfg=47.60, KEGG ID=, CAS ID=37115-45-0 ]", "37115-45-0"}}, 
   {531.916, 0.5070588, "Meta"} -> {{24254, 24838, 20386}, 
     {" [ C12 H14 Cl2 O15 S2, db=0.00, overall=39.84, mfg=79.68 ]", ""}}, 
   {214.897, 0.52371436, "Meta"} -> {{217903, 1, 170454}, {"", ""}}, 
   {425.1324, 0.508147, "Meta"} -> {{23088, 25433, 24431}, 
     {" [ C19 H23 N O10, db=0.00, overall=41.12, mfg=82.25 ]", ""}}, 
   {168.0289, 0.51672226, "Meta"} -> {{7785504, 8451131, 7049348}, 
     {"Uric acid [ C5 H4 N4 O3, db=96.68, overall=96.41, mfg=97.39, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {374.0341, 0.52980775, "Meta"} -> 
    {{43224, 33569, 92429}, {" [ C11 H10 N4 O11, overall=48.28, mfg=96.56 ]", 
      ""}}, {280.0466, 0.5384857, "Meta"} -> {{138760, 126790, 131447}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=43.69, mfg=87.39 ]", ""}}, 
   {184.0239, 0.54403025, "Meta"} -> {{464045, 393079, 430711}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {198.039, 0.6222122, "Meta"} -> {{102733, 123356, 100600}, 
     {" [ C6 H6 N4 O4, db=0.00, overall=45.18, mfg=90.36 ]", ""}}, 
   {181.0742, 0.5650416, "Meta"} -> {{1, 1, 1}, {"Tyrosine [ C9 H11 N O3, \
db=84.05, overall=84.06, mfg=84.07, KEGG ID=C00082, CAS ID=60-18-4 ]", 
      "60-18-4"}}, {131.0952, 0.55852777, "Meta"} -> 
    {{330271, 330669, 305676}, {"Leucine [ C6 H13 N O2, db=97.72, \
overall=97.71, mfg=97.71, KEGG ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, 
   {90.0324, 0.5372759, "Meta"} -> {{70889, 158318, 112317}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=82.69, overall=82.70, \
mfg=82.71, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {244.0705, 0.5624118, "Meta"} -> {{40095, 45227, 43401}, 
     {"Uridine [ C9 H12 N2 O6, db=67.38, overall=68.64, mfg=69.89, KEGG \
ID=C00299, CAS ID=58-96-8 ]", "58-96-8"}}, {196.8186, 0.60599995, "Meta"} -> 
    {{2228886, 1692440, 1629067}, {"", ""}}, 
   {135.9023, 0.60605717, "Meta"} -> {{72349, 71799, 66660}, {"", ""}}, 
   {283.9462, 0.6075714, "Meta"} -> {{1, 135149, 98045}, 
     {" [ C12 H6 Cl2 O2 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {225.9873, 0.61388576, "Meta"} -> {{491746, 513553, 458803}, 
     {" [ C6 H7 Cl O7, db=0.00, overall=48.85, mfg=97.70 ]", ""}}, 
   {431.9923, 0.6182857, "Meta"} -> {{26919, 25325, 29924}, 
     {" [ C16 H13 Cl O10 S, db=0.00, overall=45.14, mfg=90.28 ]", ""}}, 
   {131.0588, 0.6508461, "Meta"} -> {{73597, 73728, 1}, 
     {"Trans-4-Hydroxy-L-proline [ C5 H9 N O3, db=81.83, overall=82.52, \
mfg=83.21, KEGG ID=, CAS ID=51-35-4 ]", "51-35-4"}}, 
   {415.9976, 0.6437096, "Meta"} -> {{103670, 106439, 1}, 
     {" [ C16 H13 Cl O9 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {374.0337, 0.65383345, "Meta"} -> {{116253, 113819, 137260}, 
     {" [ C11 H10 N4 O11, overall=47.89, mfg=95.77 ]", ""}}, 
   {564.0432, 0.6573428, "Meta"} -> {{37345, 1, 47943}, 
     {" [ C21 H16 N4 O13 S, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {754.0538, 0.6575557, "Meta"} -> {{19129, 17181, 21754}, 
     {" [ C39 H18 N2 O13 S, db=0.00, overall=44.85, mfg=89.71 ]", ""}}, 
   {125.0227, 0.6596801, "Meta"} -> {{100102, 1, 94392}, 
     {" [ C4 H3 N3 O2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {168.0284, 0.65855557, "Meta"} -> {{1.18*^7, 1.15*^7, 1.12*^7}, 
     {"Uric acid [ C5 H4 N4 O3, db=97.86, overall=98.27, mfg=98.70, KEGG \
ID=C00366, CAS ID=69-93-2 ]", "69-93-2"}}, {352.0523, 0.65837497, "Meta"} -> 
    {{1, 26253, 29561}, 
     {" [ C10 H8 N8 O7, db=0.00, overall=36.00, mfg=72.00 ]", ""}}, 
   {184.0236, 0.6534444, "Meta"} -> {{521183, 482704, 582432}, 
     {" [ C5 H4 N4 O4, db=0.00, overall=49.39, mfg=98.79 ]", ""}}, 
   {131.0951, 0.66152775, "Meta"} -> {{645218, 715952, 607917}, 
     {"Leucine [ C6 H13 N O2, db=99.29, overall=99.28, mfg=99.28, KEGG \
ID=C00123, CAS ID=61-90-5 ]", "61-90-5"}}, {738.0595, 0.6604722, "Meta"} -> 
    {{39720, 36988, 32087}, 
     {" [ C31 H14 N8 O15, db=0.00, overall=46.43, mfg=92.86 ]", ""}}, 
   {548.0492, 0.6601944, "Meta"} -> {{83950, 95752, 73911}, 
     {" [ C29 H12 N2 O10, db=0.00, overall=42.80, mfg=85.60 ]", ""}}, 
   {542.0602, 0.66263896, "Meta"} -> {{25244, 24234, 31344}, 
     {" [ C28 H18 N2 O6 S2, db=0.00, overall=42.97, mfg=85.94 ]", ""}}, 
   {358.0392, 0.65980566, "Meta"} -> {{700583, 739740, 657604}, 
     {" [ C23 H6 N2 O3, overall=39.63, mfg=79.27 ]", ""}}, 
   {104.0476, 0.70049995, "Meta"} -> {{57049, 52192, 207123}, 
     {"a-hydroxybutyrate [ C4 H8 O3, db=86.25, overall=66.93, mfg=86.34, KEGG \
ID=, CAS ID= ]", ""}}, {732.0712, 0.6607778, "Meta"} -> 
    {{25682, 23874, 26976}, 
     {" [ C30 H12 N12 O12, db=0.00, overall=34.98, mfg=69.97 ]", ""}}, 
   {1090.1093, 0.6621667, "Meta"} -> {{23038, 21238, 22089}, 
     {" [ C41 H22 N16 O22, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {900.1003, 0.6629444, "Meta"} -> {{26914, 22309, 28792}, 
     {" [ C31 H24 N12 O19 S, db=0.00, overall=47.81, mfg=95.61 ]", ""}}, 
   {710.0898, 0.6638611, "Meta"} -> {{26448, 23615, 28372}, 
     {" [ C28 H26 N2 O18 S, db=0.00, overall=46.39, mfg=92.78 ]", ""}}, 
   {694.095, 0.6639412, "Meta"} -> {{16770, 15683, 12979}, 
     {" [ C33 H14 N10 O9, db=0.00, overall=34.38, mfg=68.76 ]", ""}}, 
   {526.0671, 0.66363883, "Meta"} -> {{76460, 74431, 65545}, 
     {" [ C16 H14 N8 O13, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {447.942, 0.6658824, "Meta"} -> {{28967, 35183, 25466}, 
     {" [ C19 H5 Cl N6 S3, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {461.176, 0.6686251, "Meta"} -> {{25792, 74864, 23767}, 
     {"4-trans-Hydroxyglipizide [ C21 H27 N5 O5 S, db=56.64, overall=56.62, \
mfg=56.59, KEGG ID=, CAS ID=38207-36-2 ]", "38207-36-2"}}, 
   {412.0983, 0.6803333, "Meta"} -> {{14048, 1, 22390}, 
     {" [ C15 H12 N10 O5, db=0.00, overall=41.52, mfg=83.05 ]", ""}}, 
   {280.0465, 0.7030572, "Meta"} -> {{161708, 174974, 110549}, 
     {" [ C9 H13 Cl N2 O6, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {348.1173, 0.7171725, "Meta"} -> {{25740, 19729, 25348}, 
     {" [ C14 H16 N6 O5, db=0.00, overall=41.41, mfg=41.17 ]", ""}}, 
   {293.1478, 0.7258529, "Meta"} -> {{88851, 256306, 1}, 
     {" [ C12 H23 N O7, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {146.0588, 0.7426923, "Meta"} -> {{64610, 68000, 82496}, 
     {"Adipic acid [ C6 H10 O4, db=45.74, overall=46.59, mfg=47.44, KEGG ID=, \
CAS ID=124-04-9 ]", "124-04-9"}}, {162.0062, 0.7617058, "Meta"} -> 
    {{283957, 261510, 264004}, 
     {" [ C6 H7 Cl O3, db=0.00, overall=38.84, mfg=77.68 ]", ""}}, 
   {230.0769, 0.7679427, "Meta"} -> {{191634, 162853, 175179}, 
     {" [ C14 H14 O S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {284.1111, 0.7666285, "Meta"} -> {{136217, 162846, 129291}, 
     {"His Glu [ C11 H16 N4 O5, db=92.40, overall=92.53, mfg=92.65 ]", ""}}, 
   {186.0505, 0.7761852, "Meta"} -> {{125977, 95365, 104966}, 
     {" [ C12 H10 S, db=0.00, overall=39.31, mfg=78.61 ]", ""}}, 
   {136.0385, 0.78565526, "Meta"} -> {{1, 231954, 258030}, 
     {"Hypoxanthine [ C5 H4 N4 O, db=91.21, overall=92.87, mfg=94.53, KEGG \
ID=C00262, CAS ID=68-94-0 ]", "68-94-0"}}, {1025.0496, 0.7687407, "Meta"} -> 
    {{47978, 82499, 82769}, 
     {" [ C33 H19 N15 O23 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {174.9941, 0.7911072, "Meta"} -> {{386685, 419514, 379203}, 
     {" [ C5 H5 N O4 S, db=0.00, overall=49.66, mfg=99.32 ]", ""}}, 
   {291.1084, 0.83484364, "Meta"} -> {{40443, 46271, 39174}, 
     {"Ser Gly Glu [ C10 H17 N3 O7, db=54.18, overall=55.11, mfg=56.03 ]", 
      ""}}, {152.0335, 0.8289285, "Meta"} -> {{1, 306886, 290658}, 
     {"Xanthine [ C5 H4 N4 O2, db=86.46, overall=86.82, mfg=87.17, KEGG \
ID=C00385, CAS ID=69-89-6 ]", "69-89-6"}}, {208.0851, 0.89707685, "Meta"} -> 
    {{76895, 49033, 79558}, {"Kynurenine [ C10 H12 N2 O3, db=79.88, \
overall=80.25, mfg=80.62, KEGG ID=C00328, CAS ID=343-65-7 ]", "343-65-7"}}, 
   {352.1403, 0.9082287, "Meta"} -> {{359712, 367320, 413672}, 
     {"Asn Tyr Gly [ C15 H20 N4 O6, db=86.69, overall=86.82, mfg=86.95 ]", 
      ""}}, {345.1427, 0.8968286, "Meta"} -> {{216858, 267720, 208985}, 
     {" [ C15 H23 N O8, db=0.00, overall=48.70, mfg=97.39 ]", ""}}, 
   {165.0794, 0.9039723, "Meta"} -> {{5643958, 5358360, 5432774}, 
     {"2-amino-4'-hydroxy-Propiophenone [ C9 H11 N O2, db=99.20, \
overall=90.30, mfg=99.20, KEGG ID=, CAS ID=18259-42-2 ]", "18259-42-2"}}, 
   {410.0986, 0.90461546, "Meta"} -> {{100463, 102900, 1}, 
     {"1,8-Naphthyridine-3-carboxylic acid, \
1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- glucuronide [ C17 H18 N2 O10, db=37.59, \
overall=40.43, mfg=43.26, KEGG ID=, CAS ID= ]", ""}}, 
   {539.201, 0.90967643, "Meta"} -> {{95787, 82156, 86422}, 
     {" [ C26 H29 N5 O8, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {303.1083, 0.9287097, "Meta"} -> {{40198, 36784, 41906}, 
     {" [ C11 H18 Cl N5 O3, db=0.00, overall=36.10, mfg=72.19 ]", ""}}, 
   {116.0475, 0.9508667, "Meta"} -> {{1785780, 1, 1889302}, 
     {"2-Oxovaleric acid [ C5 H8 O3, db=69.46, overall=69.45, mfg=69.44, KEGG \
ID=, CAS ID=1821-02-9 ]", "1821-02-9"}}, {1037.0496, 0.9503078, "Meta"} -> 
    {{108587, 116726, 111744}, 
     {" [ C33 H23 N11 O27 S, db=0.00, overall=39.05, mfg=78.10 ]", ""}}, 
   {322.1532, 1.2768389, "Meta"} -> {{49938, 60551, 52459}, 
     {" [ C17 H18 N6 O, db=0.00, overall=40.68, mfg=81.36 ]", ""}}, 
   {882.3053, 1.2949167, "Meta"} -> {{99246, 75938, 61095}, 
     {" [ C55 H46 O11, db=0.00, overall=47.13, mfg=94.26 ]", ""}}, 
   {204.0903, 1.2896286, "Meta"} -> {{1.48*^7, 1.57*^7, 8571705}, 
     {"Tryptophan [ C11 H12 N2 O2, db=99.49, overall=99.49, mfg=99.51, KEGG \
ID=C00078, CAS ID=73-22-3 ]", "73-22-3"}}, {656.2335, 1.3017085, "Meta"} -> 
    {{318611, 334690, 1}, 
     {" [ C32 H32 N8 O8, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {430.1619, 1.2902309, "Meta"} -> {{1172978, 1257628, 1175577}, 
     {" [ C20 H18 N10 O2, db=0.00, overall=49.20, mfg=42.96 ]", ""}}, 
   {189.9937, 1.4286946, "Meta"} -> {{1999865, 2150600, 1948976}, 
     {"Pyrocatechol sulfate [ C6 H6 O5 S, db=99.60, overall=99.61, mfg=99.61, \
KEGG ID=, CAS ID=4918-96-1 ]", "4918-96-1"}}, 
   {1110.9952, 1.4317585, "Meta"} -> {{109948, 106368, 97268}, 
     {" [ C35 H25 N11 O24 S4, db=0.00, overall=36.91, mfg=73.82 ]", ""}}, 
   {182.058, 1.6026126, "Meta"} -> {{188868, 170348, 157239}, 
     {",4-Dihydroxyphenylpropionic acid [ C9 H10 O4, db=94.27, overall=94.39, \
mfg=94.50, KEGG ID=, CAS ID=1078-61-1 ]", "1078-61-1"}}, 
   {1095.0002, 1.7207778, "Meta"} -> {{168733, 173362, 158015}, 
     {" [ C35 H17 N15 O24 S2, db=0.00, overall=40.11, mfg=80.22 ]", ""}}, 
   {173.9988, 1.7262778, "Meta"} -> {{3178350, 3462474, 3172775}, 
     {"Phenyl sulfate [ C6 H6 O4 S, db=99.64, overall=99.66, mfg=99.67, KEGG \
ID=, CAS ID=937-34-8 ]", "937-34-8"}}, {182.058, 1.867069, "Meta"} -> 
    {{217624, 236248, 198202}, {",4-Dihydroxyphenylpropionic acid [ C9 H10 \
O4, db=95.99, overall=96.02, mfg=96.04, KEGG ID=, CAS ID=1078-61-1 ]", 
      "1078-61-1"}}, {1134.0114, 2.0219998, "Meta"} -> 
    {{89270, 124878, 109076}, 
     {" [ C36 H22 N12 O28 S2, db=0.00, overall=41.04, mfg=82.08 ]", ""}}, 
   {448.0007, 2.0174515, "Meta"} -> {{72242, 72951, 57960}, 
     {" [ C22 H12 N2 O3 S3, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {213.01, 2.018472, "Meta"} -> {{5441055, 5239830, 4102473}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=98.35, overall=71.96, \
mfg=98.50, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {204.0092, 3.042, "Meta"} -> {{239169, 273506, 233375}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {132.0786, 3.2410002, "Meta"} -> {{149935, 201189, 222291}, 
     {"2-Hydroxy-4-methylvaleric acid [ C6 H12 O3, db=89.91, overall=90.15, \
mfg=90.40, KEGG ID=, CAS ID=13748-90-8 ]", "13748-90-8"}}, 
   {196.0596, 3.2147665, "Meta"} -> {{1, 87161, 75817}, 
     {"1,3-Dimethyluric acid [ C7 H8 N4 O3, db=80.39, overall=81.09, \
mfg=81.79, KEGG ID=, CAS ID=944-73-0 ]", "944-73-0"}}, 
   {204.0091, 3.342654, "Meta"} -> {{120564, 133401, 119974}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {398.0108, 3.6705623, "Meta"} -> {{291118, 323833, 278136}, 
     {" [ C12 H10 N6 O6 S2, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {346.1144, 3.6488073, "Meta"} -> {{1, 22053, 1}, 
     {"Nifedipine [ C17 H18 N2 O6, db=71.85, overall=71.92, mfg=72.00, KEGG \
ID=C07266, CAS ID=21829-25-4 ]", "21829-25-4"}}, 
   {188.0138, 3.6837223, "Meta"} -> {{4.39*^7, 4.7*^7, 4.4*^7}, 
     {" [ C7 H8 O4 S, db=0.00, overall=48.18, mfg=96.36 ]", ""}}, 
   {1109.0165, 3.6923616, "Meta"} -> {{1095245, 1136492, 1056815}, 
     {" [ C35 H23 N11 O28 S2, db=0.00, overall=39.90, mfg=79.79 ]", ""}}, 
   {264.1114, 3.6854804, "Meta"} -> {{907174, 1038496, 882785}, 
     {" [ C13 H16 N2 O4, db=0.00, overall=49.36, mfg=98.73 ]", ""}}, 
   {180.0647, 3.9395883, "Meta"} -> {{180708, 186116, 165088}, 
     {"Paraxanthine [ C7 H8 N4 O2, db=59.87, overall=60.48, mfg=61.08, KEGG \
ID=, CAS ID=611-59-6 ]", "611-59-6"}}, {262.0679, 3.9412422, "Meta"} -> 
    {{94945, 110832, 95879}, {"2-Thiopheneacetic acid, \
5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 H14 O3 S, db=87.50, \
overall=88.25, mfg=89.00, KEGG ID=, CAS ID=54955-36-1 ]", "54955-36-1"}}, 
   {282.0002, 4.108308, "Meta"} -> {{71616, 77783, 61253}, 
     {" [ C17 H8 Cl2, db=0.00, overall=36.09, mfg=72.17 ]", ""}}, 
   {382.1117, 4.1835, "Meta"} -> {{55724, 71671, 66162}, 
     {" [ C15 H18 N4 O8, db=0.00, overall=47.51, mfg=95.02 ]", ""}}, 
   {262.0677, 4.183379, "Meta"} -> {{50112, 59583, 1}, 
     {"2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-alpha-methyl- [ C14 \
H14 O3 S, db=68.13, overall=68.42, mfg=68.71, KEGG ID=, CAS ID=54955-36-1 ]", 
      "54955-36-1"}}, {180.0649, 4.183057, "Meta"} -> 
    {{919331, 941899, 917244}, {"Paraxanthine [ C7 H8 N4 O2, db=99.18, \
overall=99.36, mfg=99.54, KEGG ID=, CAS ID=611-59-6 ]", "611-59-6"}}, 
   {205.0741, 4.636584, "Meta"} -> {{553176, 425386, 182197}, 
     {"deschlorobenzoyl Indomethacin [ C11 H11 N O3, db=99.04, overall=99.05, \
mfg=99.05, KEGG ID=, CAS ID=32387-22-7 ]", "32387-22-7"}}, 
   {166.063, 4.7070003, "Meta"} -> {{252228, 276948, 261439}, 
     {"3-(4-Hydroxyphenyl)propionic acid [ C9 H10 O3, db=99.13, \
overall=82.60, mfg=99.19, HMP ID=HMDB02199, KEGG ID= ]", ""}}, 
   {185.1052, 4.959893, "Meta"} -> {{40140, 46351, 45414}, 
     {"Ecgonine [ C9 H15 N O3, db=74.71, overall=76.58, mfg=78.45, KEGG ID=, \
CAS ID=481-37-8 ]", "481-37-8"}}, {136.0525, 5.03944, "Meta"} -> 
    {{1, 1, 47124}, {"Phenylacetic acid [ C8 H8 O2, db=81.49, overall=81.82, \
mfg=82.16, KEGG ID=C07086, CAS ID=103-82-2 ]", "103-82-2"}}, 
   {278.1631, 5.1298003, "Meta"} -> {{25241, 1, 27941}, 
     {"Phe Leu [ C15 H22 N2 O3, db=83.86, overall=83.89, mfg=83.92 ]", ""}}, 
   {904.4764, 5.372029, "Meta"} -> {{72642, 84451, 76795}, 
     {" [ C40 H64 N12 O12, db=0.00, overall=49.01, mfg=87.73 ]", ""}}, 
   {926.4577, 5.371874, "Meta"} -> {{23705, 30787, 23021}, 
     {" [ C46 H62 N12 O7 S, db=0.00, overall=46.91, mfg=93.81 ]", ""}}, 
   {200.0143, 5.431, "Meta"} -> {{185214, 205936, 186802}, 
     {" [ C8 H8 O4 S, db=0.00, overall=49.15, mfg=98.30 ]", ""}}, 
   {145.0528, 5.4402695, "Meta"} -> {{1, 74547, 109426}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=61.50, overall=62.71, mfg=63.93, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {175.0635, 5.442611, "Meta"} -> 
    {{550016, 501366, 339746}, {"3-Indoleacetic Acid [ C10 H9 N O2, db=99.58, \
overall=72.52, mfg=99.60, KEGG ID=C00954, CAS ID=87-51-4 ]", "87-51-4"}}, 
   {131.0734, 5.442235, "Meta"} -> {{105450, 101376, 1}, 
     {"3-Methylindole [ C9 H9 N, db=74.30, overall=75.42, mfg=76.54, HMP \
ID=HMDB00466, KEGG ID=, CAS ID=83-34-1 ]", "83-34-1"}}, 
   {257.0666, 5.4424, "Meta"} -> {{83786, 1, 54560}, 
     {" [ C10 H7 N7 O2, db=0.00, overall=38.41, mfg=76.82 ]", ""}}, 
   {196.0736, 5.46626, "Meta"} -> {{74784, 79954, 69833}, 
     {"a-Methyl-3,4-dihydroxyphenylpropionic acid [ C10 H12 O4, db=96.43, \
overall=96.70, mfg=96.97, KEGG ID=, CAS ID=53832-94-3 ]", "53832-94-3"}}, 
   {351.1583, 5.5754156, "Meta"} -> {{55688, 62668, 58835}, 
     {"Trp Phe [ C20 H21 N3 O3, db=93.28, overall=93.52, mfg=93.76 ]", ""}}, 
   {470.1366, 5.5896306, "Meta"} -> {{1, 19778, 20832}, 
     {" [ C28 H22 O7, db=0.00, overall=39.86, mfg=79.72 ]", ""}}, 
   {312.1477, 5.5898333, "Meta"} -> {{1291900, 1447301, 1289764}, 
     {"Phe Phe [ C18 H20 N2 O3, db=98.98, overall=95.66, mfg=99.00 ]", ""}}, 
   {646.2764, 5.5875187, "Meta"} -> {{21904, 27423, 24451}, 
     {" [ C42 H38 N4 O S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {394.1506, 5.590028, "Meta"} -> {{138938, 163833, 150688}, 
     {"Asn Phe Asp [ C17 H22 N4 O7, db=88.48, overall=88.49, mfg=88.50 ]", 
      ""}}, {476.1535, 5.5908604, "Meta"} -> {{35673, 46171, 41288}, 
     {" [ C21 H32 O8 S2, db=0.00, overall=46.11, mfg=92.23 ]", ""}}, 
   {418.1727, 5.588407, "Meta"} -> {{17841, 21493, 20253}, 
     {"Nimodipine [ C21 H26 N2 O7, db=72.80, overall=74.28, mfg=75.75, KEGG \
ID=C07267, CAS ID=66085-59-4 ]", "66085-59-4"}}, 
   {145.0528, 5.719285, "Meta"} -> {{75644, 73824, 79141}, 
     {"Isoquinoline N-oxide [ C9 H7 N O, db=70.41, overall=71.62, mfg=72.84, \
KEGG ID=, CAS ID=1532-72-5 ]", "1532-72-5"}}, {188.105, 5.770749, "Meta"} -> 
    {{249147, 301581, 421221}, {"3-Methylsuberic acid [ C9 H16 O4, db=90.84, \
overall=91.17, mfg=91.49, KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {470.2168, 5.783625, "Meta"} -> {{15527, 15244, 14744}, 
     {" [ C24 H30 N4 O6, db=0.00, overall=39.30, mfg=78.61 ]", ""}}, 
   {237.1003, 5.8520346, "Meta"} -> {{34201, 35041, 33326}, 
     {" [ C13 H11 N5, db=0.00, overall=33.59, mfg=67.17 ]", ""}}, 
   {174.0891, 5.9956303, "Meta"} -> {{66781, 75092, 71377}, 
     {"2-Propylglutaric acid [ C8 H14 O4, db=86.38, overall=86.39, mfg=86.41, \
KEGG ID=, CAS ID=32806-62-5 ]", "32806-62-5"}}, 
   {1076.5266, 6.2318325, "Meta"} -> {{63868, 78455, 65852}, 
     {" [ C49 H80 N4 O22, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {1227.5507, 6.5063877, "Meta"} -> {{29726, 39934, 37661}, 
     {" [ C59 H89 N O24 S, db=0.00, overall=47.86, mfg=95.72 ]", ""}}, 
   {1205.5695, 6.506195, "Meta"} -> {{191599, 209328, 190004}, 
     {" [ C54 H87 N5 O25, db=0.00, overall=49.68, mfg=99.36 ]", ""}}, 
   {1019.5047, 6.552056, "Meta"} -> {{289207, 314138, 297727}, 
     {" [ C47 H77 N3 O21, db=0.00, overall=49.74, mfg=99.48 ]", ""}}, 
   {1041.4858, 6.551942, "Meta"} -> {{55066, 64841, 63454}, 
     {" [ C53 H75 N3 O16 S, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {1262.5905, 6.678611, "Meta"} -> {{118610, 136140, 123941}, 
     {" [ C56 H90 N6 O26, db=0.00, overall=49.55, mfg=99.09 ]", ""}}, 
   {748.3757, 6.6989994, "Meta"} -> {{44683, 49929, 1}, 
     {" [ C34 H52 N8 O11, db=0.00, overall=48.77, mfg=79.52 ]", ""}}, 
   {1371.6038, 6.7154856, "Meta"} -> {{32983, 42375, 35628}, 
     {" [ C56 H81 N27 O11 S2, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {1349.6226, 6.7146378, "Meta"} -> {{181746, 220409, 179974}, 
     {" [ C59 H95 N7 O28, db=0.00, overall=49.77, mfg=99.54 ]", ""}}, 
   {198.0894, 6.7240276, "Meta"} -> {{81484, 84427, 76524}, 
     {"5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic acid [ C10 H14 O4, \
db=92.24, overall=93.47, mfg=94.70, KEGG ID=, CAS ID=701216-61-7 ]", 
      "701216-61-7"}}, {358.1629, 6.755292, "Meta"} -> 
    {{54053, 52036, 44842}, 
     {"Trp Pro Gly [ C18 H22 N4 O4, db=78.18, overall=78.34, mfg=78.50 ]", 
      ""}}, {741.2964, 6.807375, "Meta"} -> {{1, 25759, 1}, 
     {" [ C32 H39 N17 O S2, db=0.00, overall=47.35, mfg=59.76 ]", ""}}, 
   {189.0791, 6.9656115, "Meta"} -> {{546935, 568238, 476974}, 
     {"3-Indolepropionic acid [ C11 H11 N O2, db=99.84, overall=68.36, \
mfg=99.84, HMP ID=HMDB02302, KEGG ID=, CAS ID=180-96-6 ]", "180-96-6"}}, 
   {271.082, 6.9651256, "Meta"} -> {{44088, 53281, 48654}, 
     {"p-Hydroxyketorolac [ C15 H13 N O4, db=64.54, overall=64.72, mfg=64.90, \
KEGG ID=, CAS ID=111930-01-9 ]", "111930-01-9"}}, 
   {246.0566, 7.016693, "Meta"} -> {{2187256, 2341281, 1990368}, 
     {" [ C10 H14 O5 S, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {1167.0573, 7.016529, "Meta"} -> {{69006, 73650, 60126}, 
     {" [ C38 H29 N11 O29 S2, db=0.00, overall=41.75, mfg=83.51 ]", ""}}, 
   {150.0682, 7.0235834, "Meta"} -> {{374698, 442218, 385346}, 
     {"hydrocinnamic acid [ C9 H10 O2, db=98.82, overall=98.91, mfg=99.00, \
KEGG ID=, CAS ID=501-52-0 ]", "501-52-0"}}, {324.9758, 7.0952587, "Meta"} -> 
    {{47813, 1, 41741}, 
     {" [ C10 H7 N5 O2 S3, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {355.9549, 7.0959725, "Meta"} -> {{728827, 147836, 423585}, 
     {" [ C11 H8 N4 O2 S4, db=0.00, overall=44.71, mfg=89.42 ]", ""}}, 
   {509.9353, 7.096583, "Meta"} -> {{39721, 1, 1}, 
     {" [ C11 H13 Cl3 N6 O7 S2, db=0.00, overall=34.96, mfg=69.92 ]", ""}}, 
   {558.8747, 7.0969687, "Meta"} -> {{576987, 59996, 165546}, 
     {" [ C16 H5 N3 O12 S4, db=0.00, overall=36.66, mfg=73.33 ]", ""}}, 
   {554.8786, 7.0968, "Meta"} -> {{118729, 11434, 60164}, {"", ""}}, 
   {248.9895, 7.093343, "Meta"} -> {{112684, 66856, 109211}, 
     {" [ C10 H3 N O7, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {1087.9875, 7.0985847, "Meta"} -> {{130147, 46971, 80729}, 
     {" [ C34 H24 N8 O28 S3, db=0.00, overall=44.29, mfg=88.58 ]", ""}}, 
   {166.9859, 7.0981107, "Meta"} -> {{2.61*^7, 8257790, 1.56*^7}, 
     {" [ C7 H5 N S2, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {395.8945, 7.09668, "Meta"} -> {{35341, 32683, 43628}, 
     {" [ C18 H Cl O5 S2, db=0.00, overall=39.73, mfg=79.47 ]", ""}}, 
   {135.0144, 7.09928, "Meta"} -> {{161555, 1, 107126}, 
     {" [ C7 H5 N S, db=0.00, overall=48.23, mfg=96.46 ]", ""}}, 
   {445.063, 7.1176577, "Meta"} -> {{77776, 36556, 66306}, 
     {" [ C17 H15 N7 O4 S2, db=0.00, overall=47.81, mfg=95.62 ]", ""}}, 
   {256.0951, 7.12764, "Meta"} -> {{982390, 1178919, 1042680}, 
     {" [ C12 H16 O6, db=0.00, overall=49.67, mfg=47.16 ]", ""}}, 
   {212.1051, 7.127666, "Meta"} -> {{39243, 43817, 38864}, 
     {" [ C11 H16 O4, db=0.00, overall=41.30, mfg=82.60 ]", ""}}, 
   {338.0978, 7.134828, "Meta"} -> {{16879, 37935, 27692}, 
     {" [ C13 H10 N10 O2, db=0.00, overall=40.44, mfg=80.89 ]", ""}}, 
   {278.0768, 7.1353593, "Meta"} -> {{31286, 1, 34227}, 
     {" [ C10 H10 N6 O4, db=0.00, overall=41.18, mfg=82.37 ]", ""}}, 
   {496.2305, 7.263407, "Meta"} -> {{22847, 27273, 19846}, 
     {" [ C25 H36 O10, db=0.00, overall=44.62, mfg=89.24 ]", ""}}, 
   {270.158, 7.3344135, "Meta"} -> {{42625, 45480, 44578}, 
     {" [ C13 H22 N2 O4, db=0.00, overall=43.10, mfg=86.20 ]", ""}}, 
   {210.0892, 7.4560995, "Meta"} -> {{71380, 81252, 73240}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=86.54, \
overall=86.58, mfg=86.62, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {920.4252, 7.4629674, "Meta"} -> {{36867, 44788, 39958}, 
     {" [ C41 H56 N14 O11, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {496.2307, 7.506296, "Meta"} -> {{28201, 30626, 27002}, 
     {" [ C25 H36 O10, db=0.00, overall=44.18, mfg=88.37 ]", ""}}, 
   {160.11, 7.635581, "Meta"} -> {{328135, 366840, 325671}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=99.64, overall=99.67, \
mfg=99.70, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {1389.653, 7.6411047, "Meta"} -> {{25137, 36926, 30501}, 
     {" [ C60 H95 N17 O17 S2, db=0.00, overall=45.62, mfg=91.23 ]", ""}}, 
   {833.3596, 7.6508007, "Meta"} -> {{35965, 47129, 42522}, 
     {" [ C49 H55 N O9 S, db=0.00, overall=47.67, mfg=90.17 ]", ""}}, 
   {188.1049, 7.6812496, "Meta"} -> {{261278, 273831, 254546}, 
     {"3-Methylsuberic acid [ C9 H16 O4, db=98.92, overall=98.94, mfg=98.96, \
KEGG ID=, CAS ID=34284-35-0 ]", "34284-35-0"}}, 
   {180.0423, 7.735805, "Meta"} -> {{105378, 121729, 115431}, 
     {"m-Hydroxyphenylpyruvic acid [ C9 H8 O4, db=98.41, overall=98.50, \
mfg=98.60, KEGG ID=, CAS ID=4607-41-4 ]", "4607-41-4"}}, 
   {1193.5211, 7.7688046, "Meta"} -> {{71526, 85200, 59037}, 
     {" [ C53 H83 N3 O27, db=0.00, overall=48.32, mfg=96.65 ]", ""}}, 
   {1106.4889, 7.7738667, "Meta"} -> {{44002, 52708, 31909}, 
     {" [ C48 H74 N12 O14 S2, db=0.00, overall=48.59, mfg=97.17 ]", ""}}, 
   {284.0358, 7.769593, "Meta"} -> {{62859, 55663, 54220}, 
     {" [ C13 H16 O S3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {214.0302, 7.8188224, "Meta"} -> {{1965560, 2081773, 1937858}, 
     {" [ C9 H10 O4 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {446.1609, 7.8257933, "Meta"} -> {{27490, 28091, 25390}, 
     {" [ C20 H30 O9 S, db=0.00, overall=46.77, mfg=93.55 ]", ""}}, 
   {318.1219, 7.8431506, "Meta"} -> {{30955, 39434, 40373}, 
     {" [ C17 H22 N2 S2, overall=44.48, mfg=88.96 ]", ""}}, 
   {1267.5815, 7.8739448, "Meta"} -> {{69399, 91896, 79684}, 
     {" [ C55 H85 N11 O23, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {1245.6003, 7.8734994, "Meta"} -> {{376953, 478245, 380133}, 
     {" [ C57 H91 N5 O25, db=0.00, overall=49.94, mfg=99.89 ]", ""}}, 
   {863.403, 7.8833714, "Meta"} -> {{113417, 129763, 119423}, 
     {" [ C38 H57 N9 O14, db=0.00, overall=48.95, mfg=94.65 ]", ""}}, 
   {486.1736, 7.929264, "Meta"} -> {{32021, 31740, 28483}, 
     {" [ C23 H34 O7 S2, db=0.00, overall=45.68, mfg=40.78 ]", ""}}, 
   {318.1218, 8.030932, "Meta"} -> {{24456, 24454, 25585}, 
     {" [ C17 H22 N2 S2, overall=44.29, mfg=88.57 ]", ""}}, 
   {208.0735, 8.070295, "Meta"} -> {{91484, 99072, 96139}, 
     {"2,5-Dimethoxycinnamic acid [ C11 H12 O4, db=94.36, overall=95.12, \
mfg=95.88, HMP ID=HMDB02370, KEGG ID= ]", ""}}, 
   {318.1222, 8.119849, "Meta"} -> {{33981, 42604, 39603}, 
     {" [ C16 H18 N2 O5, overall=44.77, mfg=89.55 ]", ""}}, 
   {158.0944, 8.127799, "Meta"} -> {{472725, 474868, 456497}, 
     {"trans-4-Hydroxycyclohexylacetic acid [ C8 H14 O3, db=97.47, \
overall=97.90, mfg=98.33, HMP ID=HMDB00909, KEGG ID= ]", ""}}, 
   {210.0893, 8.2288885, "Meta"} -> {{104963, 115032, 113742}, 
     {"Methoxyhydroxymethylhydrocinnamic acid [ C11 H14 O4, db=94.73, \
overall=94.98, mfg=95.23, KEGG ID=, CAS ID=53832-93-2 ]", "53832-93-2"}}, 
   {244.1311, 8.360774, "Meta"} -> {{29973, 29813, 28592}, 
     {" [ C13 H24 S2, db=0.00, overall=37.78, mfg=75.57 ]", ""}}, 
   {160.11, 8.384833, "Meta"} -> {{148969, 161139, 151086}, 
     {" 5-Hydroxyvalproic acid [ C8 H16 O3, db=98.46, overall=98.51, \
mfg=98.55, KEGG ID=, CAS ID=53660-23-4 ]", "53660-23-4"}}, 
   {200.1049, 8.588367, "Meta"} -> {{100914, 110679, 90089}, 
     {"6,9-dioxo-decanoic acid [ C10 H16 O4, db=85.88, overall=86.35, \
mfg=86.82, Lipid ID=, KEGG ID= ]", ""}}, {658.2838, 8.636967, "Meta"} -> 
    {{34850, 40401, 38361}, 
     {" [ C31 H46 O15, db=0.00, overall=47.67, mfg=95.33 ]", ""}}, 
   {240.0996, 8.648694, "Meta"} -> {{34419, 48138, 33436}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=84.05, overall=84.95, mfg=85.85, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {332.1375, 8.653805, "Meta"} -> 
    {{197783, 149278, 271618}, 
     {" [ C17 H20 N2 O5, overall=49.73, mfg=99.46 ]", ""}}, 
   {1448.4716, 8.678354, "Meta"} -> {{80193, 102244, 51896}, 
     {" [ C60 H76 N18 O19 S3, db=0.00, overall=45.42, mfg=90.85 ]", ""}}, 
   {430.1661, 8.673194, "Meta"} -> {{80152, 89622, 75386}, 
     {" [ C20 H30 O8 S, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {1433.5052, 8.678484, "Meta"} -> {{50956, 76245, 59716}, 
     {" [ C60 H71 N23 O18 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {1395.5598, 8.678527, "Meta"} -> {{2192031, 3231149, 2510645}, 
     {" [ C55 H73 N29 O14 S, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {1281.4523, 8.681096, "Meta"} -> {{26920, 49107, 39712}, 
     {" [ C54 H71 N15 O18 S2, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {1259.471, 8.680971, "Meta"} -> {{97730, 150295, 122817}, 
     {" [ C60 H69 N13 O16 S, db=0.00, overall=49.04, mfg=98.07 ]", ""}}, 
   {1237.4904, 8.679971, "Meta"} -> {{732563, 1082270, 825049}, 
     {" [ C57 H79 N3 O27, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {1417.5406, 8.679137, "Meta"} -> {{307297, 466548, 393404}, 
     {" [ C54 H83 N17 O26 S, db=0.00, overall=49.51, mfg=99.03 ]", ""}}, 
   {1439.5223, 8.679805, "Meta"} -> {{103416, 161370, 125317}, 
     {" [ C52 H77 N23 O24 S, db=0.00, overall=48.45, mfg=96.90 ]", ""}}, 
   {320.199, 8.707962, "Meta"} -> {{46945, 51565, 43666}, 
     {"QH2 [ C19 H28 O4, db=95.92, overall=96.14, mfg=96.36, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {201.1365, 8.716999, "Meta"} -> 
    {{46527, 45375, 41740}, {"Capryloylglycine [ C10 H19 N O3, db=71.35, \
overall=72.27, mfg=73.19, HMP ID=HMDB00832, KEGG ID= ]", ""}}, 
   {496.2309, 8.7241125, "Meta"} -> {{256114, 288946, 253611}, 
     {" [ C25 H36 O10, db=0.00, overall=49.70, mfg=99.40 ]", ""}}, 
   {518.2124, 8.7241335, "Meta"} -> {{30764, 36999, 34800}, 
     {" [ C31 H34 O5 S, db=0.00, overall=44.93, mfg=89.87 ]", ""}}, 
   {354.1192, 8.772236, "Meta"} -> {{44111, 39540, 55543}, 
     {" [ C15 H14 N8 O3, db=0.00, overall=45.35, mfg=90.70 ]", ""}}, 
   {256.1215, 8.777917, "Meta"} -> {{576905, 461850, 667650}, 
     {"BMPN-benzoic acid [ C15 H16 N2 O2, db=99.46, overall=99.47, mfg=99.49, \
KEGG ID=, CAS ID= ]", ""}}, {300.1111, 8.8038845, "Meta"} -> 
    {{1, 72448, 97334}, 
     {" [ C16 H16 N2 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {332.1375, 8.811027, "Meta"} -> {{571048, 481230, 675396}, 
     {" [ C17 H20 N2 O5, overall=49.79, mfg=99.58 ]", ""}}, 
   {414.1402, 8.817212, "Meta"} -> {{47138, 45906, 64972}, 
     {" [ C25 H22 N2 O2 S, overall=46.55, mfg=93.10 ]", ""}}, 
   {190.063, 8.853059, "Meta"} -> {{63627, 67566, 65994}, 
     {"7-Ethoxycoumarin [ C11 H10 O3, db=72.67, overall=73.39, mfg=74.11, \
KEGG ID=C11052, CAS ID=31005-02-4 ]", "31005-02-4"}}, 
   {215.1523, 8.874777, "Meta"} -> {{146058, 145491, 144146}, 
     {" [ C11 H21 N O3, db=0.00, overall=43.02, mfg=86.04 ]", ""}}, 
   {184.1099, 8.916748, "Meta"} -> {{59884, 68143, 68923}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=83.75, overall=83.78, \
mfg=83.82, Lipid ID=, KEGG ID= ]", ""}}, {616.1101, 8.944445, "Meta"} -> 
    {{31556, 15084, 1}, 
     {" [ C26 H32 O11 S3, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {202.1205, 8.978412, "Meta"} -> {{57825, 64756, 62977}, 
     {"sebacic acid [ C10 H18 O4, db=90.77, overall=91.78, mfg=92.78, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {214.1206, 8.989277, "Meta"} -> 
    {{72282, 91903, 77798}, 
     {" [ C11 H18 O4, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {390.099, 9.010772, "Meta"} -> {{62211, 64727, 66067}, 
     {" [ C16 H22 O9 S, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {284.1259, 9.087678, "Meta"} -> {{26703, 22446, 16052}, 
     {" [ C14 H20 O6, db=0.00, overall=41.70, mfg=46.01 ]", ""}}, 
   {142.0994, 9.129657, "Meta"} -> {{111269, 119315, 111278}, 
     {"3-tert-butyl-3-butenoic acid [ C8 H14 O2, db=85.74, overall=85.76, \
mfg=85.79, Lipid ID=, KEGG ID= ]", ""}}, {214.1207, 9.133967, "Meta"} -> 
    {{1, 24612, 1}, {" [ C12 H14 N4, db=0.00, overall=39.15, mfg=78.30 ]", 
      ""}}, {1089.4987, 9.149807, "Meta"} -> {{108033, 131014, 105076}, 
     {" [ C51 H79 N O24, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {184.1101, 9.22872, "Meta"} -> {{1, 21428, 28854}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=76.22, overall=76.39, \
mfg=76.55, Lipid ID=, KEGG ID= ]", ""}}, {181.1102, 9.214113, "Meta"} -> 
    {{261091, 288938, 272461}, {"2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, \
(E)- Metabolite [ C10 H15 N O2, db=98.93, overall=98.98, mfg=99.03, KEGG ID=, \
CAS ID= ]", ""}}, {542.2727, 9.303111, "Meta"} -> {{77611, 86949, 79520}, 
     {" [ C23 H39 Cl N8 O5, db=0.00, overall=40.51, mfg=81.01 ]", ""}}, 
   {350.2094, 9.306334, "Meta"} -> {{35260, 41491, 35583}, 
     {"15-keto-PGE2 [ C20 H30 O5, db=78.53, overall=78.55, mfg=78.56, Lipid \
ID=LMFA03010030, KEGG ID= ]", ""}}, {544.2876, 9.344885, "Meta"} -> 
    {{32516, 33293, 31463}, 
     {" [ C25 H40 N10 S2, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {332.1375, 9.349228, "Meta"} -> {{56294, 50970, 67752}, 
     {" [ C17 H20 N2 O5, overall=45.85, mfg=91.69 ]", ""}}, 
   {540.2567, 9.390166, "Meta"} -> {{25408, 29359, 23650}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.85, overall=76.07, mfg=76.29, KEGG ID=, CAS ID= ]", ""}}, 
   {226.1206, 9.454667, "Meta"} -> {{1, 34212, 27835}, 
     {"Tuberonic acid [ C12 H18 O4, db=70.37, overall=70.39, mfg=70.42, Lipid \
ID=LMFA02020007, KEGG ID= ]", ""}}, {594.3415, 9.460033, "Meta"} -> 
    {{14625, 16260, 14064}, {"L-Urobilin [ C33 H46 N4 O6, db=91.60, \
overall=91.67, mfg=91.75, HMP ID=HMDB04159, KEGG ID= ]", ""}}, 
   {630.1262, 9.475205, "Meta"} -> {{41255, 45662, 31676}, 
     {" [ C28 H30 N4 O7 S3, db=0.00, overall=45.99, mfg=91.98 ]", ""}}, 
   {202.1205, 9.483196, "Meta"} -> {{36917, 39352, 78056}, 
     {"sebacic acid [ C10 H18 O4, db=80.36, overall=80.46, mfg=80.55, KEGG \
ID=C08277, CAS ID=111-20-6 ]", "111-20-6"}}, {624.2754, 9.4998045, "Meta"} -> 
    {{29052, 30802, 32493}, 
     {" [ C35 H44 O8 S, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {542.2727, 9.500222, "Meta"} -> {{375937, 424657, 374963}, 
     {" [ C27 H42 O11, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {254.1158, 9.507056, "Meta"} -> {{60456, 69689, 56898}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=96.48, overall=96.56, mfg=96.65, Lipid ID=, KEGG ID= ]", ""}}, 
   {264.1362, 9.523472, "Meta"} -> {{161573, 176690, 161327}, 
     {" [ C15 H20 O4, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {463.184, 9.53661, "Meta"} -> {{215715, 239013, 229932}, 
     {"Ritodrine glucuronide [ C23 H29 N O9, db=96.72, overall=96.83, \
mfg=96.93, KEGG ID=, CAS ID=129464-58-0 ]", "129464-58-0"}}, 
   {482.2516, 9.611527, "Meta"} -> {{47977, 50303, 38952}, 
     {" [ C25 H38 O9, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {184.1099, 9.609807, "Meta"} -> {{43549, 49957, 1}, 
     {"9-oxo-2E-decenoic acid [ C10 H16 O3, db=81.85, overall=81.89, \
mfg=81.94, Lipid ID=, KEGG ID= ]", ""}}, {480.2357, 9.669027, "Meta"} -> 
    {{23941, 31952, 24473}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.72, overall=76.82, mfg=76.92 ]", 
      ""}}, {214.1206, 9.669499, "Meta"} -> {{107643, 123033, 105427}, 
     {" [ C11 H18 O4, db=0.00, overall=46.78, mfg=93.56 ]", ""}}, 
   {166.0994, 9.646821, "Meta"} -> {{64899, 1, 36749}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=81.69, overall=81.71, \
mfg=81.73, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {230.0615, 9.670833, "Meta"} -> {{2118078, 2355851, 2106598}, 
     {" [ C10 H14 O4 S, db=0.00, overall=49.60, mfg=99.19 ]", ""}}, 
   {420.215, 9.688028, "Meta"} -> {{44481, 48331, 38866}, 
     {" [ C23 H32 O7, db=0.00, overall=40.43, mfg=80.86 ]", ""}}, 
   {174.1255, 9.749818, "Meta"} -> {{53563, 57245, 70112}, 
     {"4-hydroxy pelargonic acid [ C9 H18 O3, db=84.03, overall=84.03, \
mfg=84.04, Lipid ID=LMFA01050026, KEGG ID= ]", ""}}, 
   {452.2405, 9.763, "Meta"} -> {{1, 15421, 15641}, 
     {"b-D-Glucopyranosiduronic acid, (3a,5b)-17-oxoestran-3-yl [ C24 H36 O8, \
db=76.39, overall=76.75, mfg=44.61, KEGG ID=, CAS ID=294213-87-9 ]", 
      "294213-87-9"}}, {422.2306, 9.762639, "Meta"} -> 
    {{296609, 324599, 278721}, 
     {"Thr Phe Arg [ C19 H30 N6 O5, db=79.99, overall=80.36, mfg=80.72 ]", 
      ""}}, {398.1861, 9.763097, "Meta"} -> {{18456, 24666, 22651}, 
     {" [ C21 H31 Cl O5, db=0.00, overall=46.94, mfg=93.88 ]", ""}}, 
   {504.2337, 9.763031, "Meta"} -> {{25319, 30082, 25252}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=51.65, \
overall=44.97, mfg=38.30, KEGG ID=, CAS ID= ]", ""}}, 
   {386.1765, 9.765556, "Meta"} -> {{417599, 452446, 401448}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=77.39, overall=78.14, mfg=78.88 ]", 
      ""}}, {228.1362, 9.771032, "Meta"} -> {{26466, 28493, 26271}, 
     {"Traumatic acid [ C12 H20 O4, db=61.55, overall=61.26, mfg=60.96, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {540.257, 9.788721, "Meta"} -> 
    {{315699, 341668, 406330}, {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=63.18, overall=63.45, mfg=63.71, KEGG ID=, CAS ID= ]", ""}}, 
   {622.2598, 9.789469, "Meta"} -> {{25512, 28726, 35484}, 
     {" [ C38 H39 Cl N2 O4, db=0.00, overall=42.64, mfg=85.29 ]", ""}}, 
   {346.1533, 9.797915, "Meta"} -> {{71680, 63338, 87368}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {166.0995, 9.835389, "Meta"} -> {{109563, 112866, 98904}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=85.12, overall=85.13, \
mfg=85.13, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {526.2777, 9.859249, "Meta"} -> {{116219, 127700, 115851}, 
     {" [ C27 H42 O10, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {229.1678, 9.858103, "Meta"} -> {{49703, 49412, 49272}, 
     {" [ C12 H23 N O3, db=0.00, overall=43.36, mfg=86.72 ]", ""}}, 
   {482.2516, 9.872665, "Meta"} -> {{165188, 194417, 160933}, 
     {" [ C25 H38 O9, db=0.00, overall=47.80, mfg=95.61 ]", ""}}, 
   {528.2204, 9.879485, "Meta"} -> {{84497, 92545, 87767}, 
     {" [ C25 H36 O12, db=0.00, overall=49.07, mfg=47.17 ]", ""}}, 
   {346.1531, 9.907971, "Meta"} -> {{59170, 46570, 58079}, 
     {" [ C18 H22 N2 O5, db=0.00, overall=42.03, mfg=84.06 ]", ""}}, 
   {422.0672, 9.910832, "Meta"} -> {{228987, 234281, 211323}, 
     {" [ C19 H18 O9 S, db=0.00, overall=48.31, mfg=96.63 ]", ""}}, 
   {386.1764, 9.933612, "Meta"} -> {{469184, 504312, 440666}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=78.25, overall=79.00, mfg=79.75 ]", 
      ""}}, {480.2361, 9.940684, "Meta"} -> {{19700, 21623, 22497}, 
     {"Ile Trp Tyr [ C26 H32 N4 O5, db=76.38, overall=76.52, mfg=76.65 ]", 
      ""}}, {352.179, 9.956538, "Meta"} -> {{18004, 22365, 17780}, 
     {" [ C21 H24 N2 O3, db=0.00, overall=41.25, mfg=82.50 ]", ""}}, 
   {540.2569, 9.977922, "Meta"} -> {{14127, 15223, 13571}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=75.83, overall=76.04, mfg=76.26, KEGG ID=, CAS ID= ]", ""}}, 
   {186.1256, 9.981147, "Meta"} -> {{411781, 395573, 425140}, 
     {"2-oxo capric acid [ C10 H18 O3, db=85.40, overall=86.22, mfg=87.04, \
Lipid ID=LMFA01060001, KEGG ID= ]", ""}}, {384.1606, 9.975889, "Meta"} -> 
    {{75612, 84451, 75469}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=72.06, overall=72.22, mfg=72.37, KEGG ID=, CAS ID= ]", 
      ""}}, {216.1362, 9.984428, "Meta"} -> {{57007, 58474, 51001}, 
     {"Undecanedioic acid [ C11 H20 O4, db=83.95, overall=85.03, mfg=86.12, \
HMP ID=HMDB00888, KEGG ID= ]", ""}}, {314.1283, 10.027904, "Meta"} -> 
    {{177880, 115916, 154558}, 
     {" [ C18 H14 N6, db=0.00, overall=45.89, mfg=91.78 ]", ""}}, 
   {228.136, 10.039296, "Meta"} -> {{27341, 1, 20566}, 
     {"Traumatic acid [ C12 H20 O4, db=66.42, overall=68.05, mfg=69.68, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {502.1816, 10.061307, "Meta"} -> 
    {{403489, 472053, 427543}, 
     {" [ C22 H26 N6 O8, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {240.0994, 10.061724, "Meta"} -> {{1.8*^7, 1.94*^7, 1.81*^7}, 
     {"2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid [ C12 H16 O5, \
db=97.70, overall=98.00, mfg=98.31, KEGG ID=, CAS ID=56392-15-5 ]", 
      "56392-15-5"}}, {540.1291, 10.062307, "Meta"} -> 
    {{45185, 45831, 62361}, 
     {" [ C21 H28 N6 O5 S3, db=0.00, overall=45.12, mfg=90.25 ]", ""}}, 
   {196.1101, 10.061862, "Meta"} -> {{647471, 729267, 668357}, 
     {"Benzenemethanol, 2-(2-aminopropoxy)-3-methyl- [ C11 H16 O3, db=99.20, \
overall=99.25, mfg=99.30, KEGG ID=, CAS ID=64111-04-2 ]", "64111-04-2"}}, 
   {1161.1013, 10.061806, "Meta"} -> {{111752, 108824, 105995}, 
     {" [ C40 H31 N11 O29 S, db=0.00, overall=40.36, mfg=80.72 ]", ""}}, 
   {322.1028, 10.062444, "Meta"} -> {{136032, 138251, 140370}, 
     {" [ C20 H18 O2 S, db=0.00, overall=47.96, mfg=95.91 ]", ""}}, 
   {262.0818, 10.06211, "Meta"} -> {{505287, 571532, 529892}, 
     {"Asp Glu [ C9 H14 N2 O7, db=82.29, overall=80.13, mfg=82.45 ]", ""}}, 
   {152.1202, 10.061838, "Meta"} -> {{78531, 88999, 83039}, 
     {"Limonene-1,2-epoxide [ C10 H16 O, db=84.61, overall=84.67, mfg=84.73, \
Lipid ID=LMPR01020046, KEGG ID=C07271 ]", ""}}, 
   {546.1456, 10.061558, "Meta"} -> {{75205, 84909, 84960}, 
     {" [ C21 H22 N8 O10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {533.1112, 10.061445, "Meta"} -> {{141600, 128246, 101675}, 
     {"Indomethacin glucuronide [ C25 H24 Cl N O10, db=51.19, overall=51.56, \
mfg=51.92, KEGG ID=, CAS ID=75523-11-4 ]", "75523-11-4"}}, 
   {518.1468, 10.061335, "Meta"} -> {{70821, 83079, 74287}, 
     {" [ C23 H26 N4 O8 S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {344.0851, 10.064399, "Meta"} -> {{68167, 66704, 72990}, 
     {" [ C10 H24 N4 O S4, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {338.0685, 10.062971, "Meta"} -> {{37364, 43140, 56531}, 
     {" [ C13 H14 N4 O5 S, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {298.1417, 10.088974, "Meta"} -> {{32608, 34572, 32078}, 
     {"Idebenone Metabolite (Benzenehexanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C15 H22 O6, db=90.00, overall=90.11, \
mfg=90.23, KEGG ID=, CAS ID=58185-92-5 ]", "58185-92-5"}}, 
   {388.192, 10.105305, "Meta"} -> {{65536, 90089, 79628}, 
     {"Quassin [ C22 H28 O6, db=57.06, overall=57.78, mfg=45.34, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {166.0995, 10.117166, "Meta"} -> 
    {{951295, 1062728, 942264}, {"(+)-Bornane-2,5-dione [ C10 H14 O2, \
db=99.38, overall=99.44, mfg=99.49, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", 
      ""}}, {426.2614, 10.146437, "Meta"} -> {{1, 27670, 1}, 
     {"1(3)-glyceryl-PGE2 [ C23 H38 O7, db=72.57, overall=73.25, mfg=73.94, \
Lipid ID=LMFA03010186, KEGG ID= ]", ""}}, {542.2725, 10.154515, "Meta"} -> 
    {{120873, 1, 121918}, 
     {" [ C27 H42 O11, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {776.6851, 10.202359, "Meta"} -> {{49506, 57362, 49662}, 
     {"Thyroxine [ C15 H11 I4 N O4, db=82.68, overall=41.34, KEGG ID=C08212, \
CAS ID=51-48-9 ]", "51-48-9"}}, {353.0935, 10.2213335, "Meta"} -> 
    {{64231, 69440, 54106}, {" [ C17 H23 N O S3, overall=46.27, mfg=92.53 ]", 
      ""}}, {228.1361, 10.230742, "Meta"} -> {{52127, 49817, 43326}, 
     {"Traumatic acid [ C12 H20 O4, db=73.67, overall=73.76, mfg=73.85, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {188.1413, 10.234943, "Meta"} -> 
    {{352857, 374995, 362505}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.90, \
overall=70.73, mfg=99.90, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {194.0975, 10.232964, "Meta"} -> {{89276, 87002, 76653}, 
     {" [ C8 H18 O3 S, db=0.00, overall=43.72, mfg=87.45 ]", ""}}, 
   {416.2047, 10.251805, "Meta"} -> {{87466, 98866, 95107}, 
     {"Spironolactone [ C24 H32 O4 S, db=73.66, overall=74.80, mfg=75.93, \
KEGG ID=C07310, CAS ID=52-01-7 ]", "52-01-7"}}, 
   {272.1623, 10.269866, "Meta"} -> {{40979, 1, 41734}, 
     {" [ C15 H28 S2, db=0.00, overall=42.96, mfg=47.25 ]", ""}}, 
   {166.0995, 10.287276, "Meta"} -> {{526230, 594332, 545455}, 
     {"(+)-Bornane-2,5-dione [ C10 H14 O2, db=77.55, overall=77.56, \
mfg=77.56, Lipid ID=LMPR01020034, KEGG ID=C03037 ]", ""}}, 
   {214.1569, 10.300001, "Meta"} -> {{34771, 32181, 31494}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=69.05, overall=70.22, \
mfg=71.38, Lipid ID=, KEGG ID= ]", ""}}, {388.192, 10.301779, "Meta"} -> 
    {{169742, 183270, 166458}, {"Quassin [ C22 H28 O6, db=63.29, \
overall=64.42, mfg=65.54, Lipid ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, 
   {221.1087, 10.306158, "Meta"} -> {{71439, 172067, 85200}, 
     {" [ C9 H19 N O3 S, db=0.00, overall=48.10, mfg=96.20 ]", ""}}, 
   {237.0861, 10.312529, "Meta"} -> {{1071858, 1413036, 531796}, 
     {"Sepiapterin [ C9 H11 N5 O3, db=73.40, overall=73.58, mfg=73.76, HMP \
ID=HMDB00238, KEGG ID= ]", ""}}, {189.1186, 10.3126, "Meta"} -> 
    {{193124, 267480, 103770}, 
     {" [ C9 H19 N O S, db=0.00, overall=46.65, mfg=93.29 ]", ""}}, 
   {144.1152, 10.332221, "Meta"} -> {{522369, 569059, 520611}, 
     {"\207-ethyl caproic acid [ C8 H16 O2, db=99.28, overall=99.35, \
mfg=99.43, KEGG ID=, CAS ID= ]", ""}}, {384.1607, 10.328199, "Meta"} -> 
    {{51045, 51879, 1}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ \
C19 H28 O6 S, db=70.91, overall=71.08, mfg=71.25, KEGG ID=, CAS ID= ]", ""}}, 
   {540.257, 10.338788, "Meta"} -> {{49023, 1, 1}, 
     {"17-alpha, 21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-gl\
ucuronide [ C27 H40 O11, db=97.17, overall=97.32, mfg=97.47, KEGG ID=, CAS \
ID= ]", ""}}, {386.1756, 10.335267, "Meta"} -> {{39189, 37757, 37044}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=54.42, overall=54.66, mfg=54.89 ]", 
      ""}}, {489.1998, 10.348146, "Meta"} -> {{51624, 52151, 45675}, 
     {"Terbinafine metabolite glucuronide [ C25 H31 N O9, db=84.10, \
overall=84.34, mfg=84.59, KEGG ID=, CAS ID= ]", ""}}, 
   {522.2099, 10.363093, "Meta"} -> {{11252, 1, 1}, 
     {" [ C28 H42 O S4, db=0.00, overall=36.25, mfg=47.46 ]", ""}}, 
   {168.1149, 10.3677225, "Meta"} -> {{169084, 178687, 147188}, 
     {"2,5-decadienoic acid [ C10 H16 O2, db=86.34, overall=86.35, mfg=86.36, \
Lipid ID=, KEGG ID= ]", ""}}, {446.1972, 10.377473, "Meta"} -> 
    {{35196, 35983, 32949}, {"Estrone glucuronide [ C24 H30 O8, db=50.54, \
overall=51.31, mfg=52.08, HMP ID=HMDB04483, KEGG ID= ]", ""}}, 
   {299.1917, 10.387223, "Meta"} -> {{22150, 29552, 24280}, 
     {" [ C16 H29 N O2 S, db=0.00, overall=40.56, mfg=81.13 ]", ""}}, 
   {414.1713, 10.389028, "Meta"} -> {{111156, 125407, 112881}, 
     {"His Met Gln [ C16 H26 N6 O5 S, db=72.79, overall=74.01, mfg=75.23 ]", 
      ""}}, {524.2255, 10.429607, "Meta"} -> {{28755, 31703, 30228}, 
     {" [ C27 H40 O6 S2, db=0.00, overall=42.82, mfg=85.64 ]", ""}}, 
   {482.2155, 10.441861, "Meta"} -> {{49554, 52314, 43108}, 
     {" [ C24 H34 O10, db=0.00, overall=46.12, mfg=47.06 ]", ""}}, 
   {438.062, 10.461273, "Meta"} -> {{114753, 119489, 109328}, 
     {" [ C19 H18 O10 S, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {444.1636, 10.478499, "Meta"} -> {{21701, 22545, 19068}, 
     {" [ C21 H32 O6 S2, db=0.00, overall=42.82, mfg=85.65 ]", ""}}, 
   {554.2362, 10.48044, "Meta"} -> {{22887, 27050, 24385}, 
     {" [ C27 H38 O12, db=0.00, overall=44.64, mfg=44.07 ]", ""}}, 
   {334.2147, 10.487138, "Meta"} -> {{322841, 374942, 329831}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=99.62, overall=99.63, mfg=99.64, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {416.2177, 10.487122, "Meta"} -> 
    {{36575, 38139, 38862}, {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 \
H32 O6, db=70.76, overall=68.01, mfg=45.75, KEGG ID=, CAS ID=638-94-8 ]", 
      "638-94-8"}}, {440.2396, 10.487211, "Meta"} -> 
    {{52071, 55653, 51331}, {"3''-HydroxyPravastatin [ C23 H36 O8, db=91.10, \
overall=91.48, mfg=91.86, KEGG ID=, CAS ID=250721-09-6 ]", "250721-09-6"}}, 
   {430.2024, 10.48693, "Meta"} -> {{20069, 19482, 20412}, 
     {" [ C22 H38 O2 S3, db=0.00, overall=39.12, mfg=78.23 ]", ""}}, 
   {396.2323, 10.487182, "Meta"} -> {{103829, 111051, 102246}, 
     {" [ C22 H36 O4 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {228.1363, 10.495833, "Meta"} -> {{26473, 1, 19136}, 
     {"Traumatic acid [ C12 H20 O4, db=79.20, overall=79.73, mfg=80.26, HMP \
ID=HMDB00933, KEGG ID= ]", ""}}, {168.1149, 10.536375, "Meta"} -> 
    {{1, 61002, 45888}, {"2,5-decadienoic acid [ C10 H16 O2, db=61.80, \
overall=61.76, mfg=61.73, Lipid ID=, KEGG ID= ]", ""}}, 
   {184.1463, 10.539221, "Meta"} -> {{68687, 76605, 70669}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=87.41, overall=87.42, mfg=87.42, \
Lipid ID=, KEGG ID= ]", ""}}, {190.1026, 10.573134, "Meta"} -> 
    {{1, 36754, 32822}, 
     {" [ C9 H18 O2 S, db=0.00, overall=41.09, mfg=82.17 ]", ""}}, 
   {504.2037, 10.607943, "Meta"} -> {{24280, 21604, 22814}, 
     {" [ C24 H32 N4 O6 S, overall=43.34, mfg=86.69 ]", ""}}, 
   {384.161, 10.607613, "Meta"} -> {{797160, 840332, 763196}, 
     {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate [ C19 H28 O6 S, \
db=92.46, overall=93.67, mfg=94.89, KEGG ID=, CAS ID= ]", ""}}, 
   {254.1514, 10.624857, "Meta"} -> {{35281, 39154, 38431}, 
     {" [ C14 H22 O4, db=0.00, overall=43.79, mfg=46.19 ]", ""}}, 
   {164.0837, 10.631886, "Meta"} -> {{170735, 194711, 180869}, 
     {"2-Phenylbutyric acid [ C10 H12 O2, db=86.79, overall=86.83, mfg=86.87, \
HMP ID=HMDB00329, KEGG ID= ]", ""}}, {243.1836, 10.631473, "Meta"} -> 
    {{208092, 139759, 163746}, 
     {" [ C13 H25 N O3, db=0.00, overall=49.45, mfg=98.90 ]", ""}}, 
   {240.1363, 10.63428, "Meta"} -> {{35243, 31594, 37660}, 
     {" [ C13 H20 O4, db=0.00, overall=41.00, mfg=82.00 ]", ""}}, 
   {334.2145, 10.64763, "Meta"} -> {{73128, 86846, 73598}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=93.97, overall=93.98, mfg=93.99, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {188.1412, 10.695612, "Meta"} -> 
    {{538768, 593376, 585421}, {"3-Hydroxycapric acid [ C10 H20 O3, db=99.89, \
overall=99.91, mfg=99.92, HMP ID=HMDB02203, KEGG ID=, CAS ID= ]", ""}}, 
   {253.0808, 10.697361, "Meta"} -> {{138472, 702902, 126346}, 
     {"L-Threoneopterin [ C9 H11 N5 O4, db=72.40, overall=72.50, mfg=72.60, \
HMP ID=HMDB00727, KEGG ID= ]", ""}}, {232.1491, 10.698384, "Meta"} -> 
    {{24904, 1, 1}, {" [ C12 H24 O2 S, db=0.00, overall=33.91, mfg=67.83 ]", 
      ""}}, {242.152, 10.732443, "Meta"} -> {{285678, 333351, 295292}, 
     {" [ C13 H22 O4, db=0.00, overall=49.67, mfg=47.55 ]", ""}}, 
   {328.1064, 10.738967, "Meta"} -> {{24472, 25507, 22937}, 
     {" [ C18 H20 N2 S2, db=0.00, overall=43.87, mfg=87.75 ]", ""}}, 
   {230.152, 10.752168, "Meta"} -> {{90639, 107699, 86508}, 
     {"Dodecanedioic acid [ C12 H22 O4, db=65.26, overall=65.75, mfg=47.61, \
HMP ID=HMDB00623, KEGG ID= ]", ""}}, {384.1609, 10.767223, "Meta"} -> 
    {{139725, 150358, 136373}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl \
sulfate [ C19 H28 O6 S, db=87.43, overall=87.49, mfg=35.63, KEGG ID=, CAS ID= \
]", ""}}, {254.1165, 10.800897, "Meta"} -> {{62076, 76635, 67246}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=74.76, overall=74.82, mfg=74.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {202.157, 10.804627, "Meta"} -> {{83906, 82831, 81220}, 
     {"10-hydroxy-undecanoic acid [ C11 H22 O3, db=86.27, overall=86.28, \
mfg=86.29, Lipid ID=, KEGG ID= ]", ""}}, {240.1363, 10.830667, "Meta"} -> 
    {{149787, 161575, 141866}, 
     {" [ C13 H20 O4, db=0.00, overall=43.37, mfg=86.74 ]", ""}}, 
   {294.1834, 10.8421955, "Meta"} -> {{317780, 302585, 302161}, 
     {" [ C17 H26 O4, db=0.00, overall=49.80, mfg=99.61 ]", ""}}, 
   {400.2085, 10.843841, "Meta"} -> {{18742, 1, 14690}, 
     {"Arg Glu Pro [ C16 H28 N6 O6, db=66.83, overall=67.27, mfg=67.71 ]", 
      ""}}, {298.1323, 10.85242, "Meta"} -> {{28052, 1, 25370}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=40.93, mfg=81.87 ]", ""}}, 
   {266.1163, 10.9108515, "Meta"} -> {{1, 1, 1}, 
     {" [ C15 H22 S2, db=0.00, overall=36.98, mfg=73.97 ]", ""}}, 
   {386.1763, 10.91589, "Meta"} -> {{150592, 163193, 138358}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=53.75, overall=53.38, mfg=53.02 ]", 
      ""}}, {301.2076, 10.942248, "Meta"} -> {{117810, 137870, 123433}, 
     {" [ C16 H31 N O2 S, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {242.1519, 10.939546, "Meta"} -> {{250252, 260486, 245461}, 
     {" [ C13 H22 O4, db=0.00, overall=42.93, mfg=39.85 ]", ""}}, 
   {245.9155, 10.958695, "Meta"} -> {{459778, 498415, 462159}, 
     {" [ C8 H Cl3 N2 O, db=0.00, overall=49.42, mfg=98.84 ]", ""}}, 
   {474.2256, 10.997302, "Meta"} -> {{30180, 24994, 21920}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=84.14, overall=84.24, \
mfg=84.35, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {418.2204, 10.996444, "Meta"} -> {{119916, 138011, 121905}, 
     {"Trp Thr Ile [ C21 H30 N4 O5, db=88.95, overall=89.77, mfg=47.53 ]", 
      ""}}, {254.1518, 11.011447, "Meta"} -> {{87847, 84944, 83687}, 
     {" [ C9 H23 Cl N4 O2, db=0.00, overall=35.12, mfg=70.23 ]", ""}}, 
   {373.2831, 11.045808, "Meta"} -> {{24509, 28608, 25894}, 
     {" [ C20 H39 N O5, db=0.00, overall=37.25, mfg=74.49 ]", ""}}, 
   {214.157, 11.058743, "Meta"} -> {{94830, 105619, 99053}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=71.42, overall=71.68, \
mfg=71.95, Lipid ID=, KEGG ID= ]", ""}}, {244.1675, 11.046893, "Meta"} -> 
    {{1, 13317, 1}, {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=79.09, \
overall=79.15, mfg=79.22, Lipid ID=, KEGG ID= ]", ""}}, 
   {254.1158, 11.082763, "Meta"} -> {{95868, 106118, 119332}, 
     {"methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate [ \
C13 H18 O5, db=94.32, overall=94.46, mfg=94.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.1919, 11.110471, "Meta"} -> {{96839, 119354, 102431}, 
     {"Quassin [ C22 H28 O6, db=61.84, overall=62.92, mfg=64.01, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {350.1188, 11.134125, "Meta"} -> 
    {{24907, 27147, 1}, {"Estrone sulfate [ C18 H22 O5 S, db=74.81, \
overall=75.15, mfg=75.49, KEGG ID=C02538, CAS ID=481-97-0 ]", "481-97-0"}}, 
   {386.1763, 11.146583, "Meta"} -> {{48989, 53322, 48601}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=51.73, overall=52.16, mfg=52.60 ]", 
      ""}}, {242.1519, 11.190083, "Meta"} -> {{1, 21494, 17838}, 
     {" [ C13 H22 O4, db=0.00, overall=40.49, mfg=80.98 ]", ""}}, 
   {210.1255, 11.175501, "Meta"} -> {{44061, 60496, 47186}, 
     {"Jasmonic acid [ C12 H18 O3, db=61.94, overall=61.93, mfg=61.91, Lipid \
ID=LMFA02020001, KEGG ID= ]", ""}}, {214.157, 11.168171, "Meta"} -> 
    {{32212, 31721, 38464}, {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, \
db=80.52, overall=80.96, mfg=81.41, Lipid ID=, KEGG ID= ]", ""}}, 
   {170.1306, 11.173029, "Meta"} -> {{406815, 485561, 414084}, 
     {"9-Decenoic acid [ C10 H18 O2, db=87.51, overall=87.51, mfg=87.52, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {238.1568, 11.181779, "Meta"} -> 
    {{1, 18353, 13592}, {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, \
db=61.13, overall=61.50, mfg=61.87, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {194.1307, 11.185084, "Meta"} -> {{180681, 195932, 179280}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=95.80, overall=96.00, \
mfg=96.21, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {158.1307, 11.189751, "Meta"} -> {{650054, 623458, 635307}, 
     {"(+)-6-methyl caprylic acid [ C9 H18 O2, db=99.27, overall=99.28, \
mfg=99.29, KEGG ID=, CAS ID= ]", ""}}, {240.134, 11.189285, "Meta"} -> 
    {{27336, 27151, 34420}, 
     {" [ C9 H16 N6 O2, db=0.00, overall=38.57, mfg=77.13 ]", ""}}, 
   {266.1165, 11.206191, "Meta"} -> {{1, 24215, 20054}, 
     {" [ C15 H22 S2, db=0.00, overall=37.82, mfg=75.64 ]", ""}}, 
   {256.1674, 11.20557, "Meta"} -> {{185001, 207405, 178553}, 
     {" [ C14 H24 O4, db=0.00, overall=49.15, mfg=47.50 ]", ""}}, 
   {494.2517, 11.207812, "Meta"} -> {{20875, 27156, 1}, 
     {" [ C27 H42 O4 S2, overall=40.51, mfg=81.01 ]", ""}}, 
   {244.1672, 11.214158, "Meta"} -> {{16384, 20436, 18791}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=77.92, overall=77.95, \
mfg=77.98, Lipid ID=, KEGG ID= ]", ""}}, {266.1519, 11.257694, "Meta"} -> 
    {{47513, 65273, 58868}, {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-\
Pentanoic acid (Gemfibrozil M1) [ C15 H22 O4, db=65.60, overall=65.59, \
mfg=65.58, KEGG ID=, CAS ID=80373-12-2 ]", "80373-12-2"}}, 
   {601.292, 11.258666, "Meta"} -> {{68533, 74453, 64280}, 
     {" [ C29 H47 N O10 S, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {170.1306, 11.267308, "Meta"} -> {{1, 1, 1}, {"9-Decenoic acid [ C10 H18 \
O2, db=87.32, overall=87.34, mfg=87.36, KEGG ID=, CAS ID=14436-32-9 ]", 
      "14436-32-9"}}, {614.366, 11.276585, "Meta"} -> 
    {{27735, 30916, 25772}, 
     {" [ C32 H54 O11, db=0.00, overall=48.16, mfg=96.32 ]", ""}}, 
   {216.1726, 11.281234, "Meta"} -> {{1, 27819, 26697}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=85.90, overall=85.93, \
mfg=85.96, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {504.235, 11.291559, "Meta"} -> {{15254, 14841, 1}, 
     {"16a-Hydroxydydrogesterone glucoronide [ C27 H36 O9, db=68.68, \
overall=69.46, mfg=70.25, KEGG ID=, CAS ID= ]", ""}}, 
   {450.181, 11.291778, "Meta"} -> {{45434, 37564, 28300}, 
     {" [ C24 H31 Cl O6, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {474.226, 11.291805, "Meta"} -> {{2125839, 1812665, 1373994}, 
     {"Methylprednisolone succinate [ C26 H34 O8, db=98.43, overall=98.58, \
mfg=98.72, KEGG ID=C07907, CAS ID=2921-57-5 ]", "2921-57-5"}}, 
   {528.2165, 11.292751, "Meta"} -> {{22332, 18505, 15322}, 
     {" [ C26 H36 N6 S3, db=0.00, overall=45.19, mfg=90.39 ]", ""}}, 
   {194.1307, 11.296306, "Meta"} -> {{107758, 115978, 92062}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=86.83, overall=86.86, \
mfg=86.88, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {508.2353, 11.327839, "Meta"} -> {{29572, 27743, 23534}, 
     {" [ C25 H48 S5, db=0.00, overall=40.24, mfg=80.48 ]", ""}}, 
   {388.1921, 11.330751, "Meta"} -> {{648051, 711640, 605592}, 
     {"Quassin [ C22 H28 O6, db=66.49, overall=67.70, mfg=68.90, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {468.2718, 11.341582, "Meta"} -> 
    {{65865, 72283, 62603}, {"3alpha-androstanediol glucuronide [ C25 H40 O8, \
db=95.38, overall=95.45, mfg=95.51, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {466.2566, 11.349056, "Meta"} -> {{72485, 79100, 81351}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=79.58, overall=79.69, \
mfg=79.80, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {632.2484, 11.366618, "Meta"} -> {{52858, 48291, 59130}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {296.1621, 11.377323, "Meta"} -> {{29609, 33683, 52351}, 
     {" [ C11 H25 Cl N4 O3, overall=30.19, mfg=60.38 ]", ""}}, 
   {256.1675, 11.371856, "Meta"} -> {{215380, 248751, 249719}, 
     {" [ C14 H24 O4, db=0.00, overall=44.87, mfg=45.44 ]", ""}}, 
   {244.1674, 11.380316, "Meta"} -> {{38655, 41541, 41219}, 
     {"2-methyl-dodecanedioic acid [ C13 H24 O4, db=94.18, overall=94.20, \
mfg=94.22, Lipid ID=, KEGG ID= ]", ""}}, {414.2075, 11.393807, "Meta"} -> 
    {{47382, 58883, 53596}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=68.18, overall=69.13, mfg=70.09 ]", 
      ""}}, {194.1307, 11.396919, "Meta"} -> {{32730, 31574, 33154}, 
     {"2,6-Diisopropylhydroquinone [ C12 H18 O2, db=62.41, overall=62.42, \
mfg=62.43, KEGG ID=, CAS ID=1988-10-9 ]", "10/9/88"}}, 
   {558.2437, 11.398139, "Meta"} -> {{17658, 21225, 20013}, 
     {" [ C34 H38 O5 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {224.1415, 11.399111, "Meta"} -> {{104767, 121886, 106815}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.49, overall=95.38, mfg=96.27, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {290.1132, 11.399221, "Meta"} -> {{100750, 127956, 114609}, 
     {"N-Succinyl-L-diaminopimelic acid [ C11 H18 N2 O7, db=83.87, \
overall=74.51, mfg=84.87, KEGG ID=, CAS ID=26605-36-7 ]", "26605-36-7"}}, 
   {268.1306, 11.398584, "Meta"} -> {{3939080, 4412028, 3775858}, 
     {" [ C14 H20 O5, db=0.00, overall=49.35, mfg=98.70 ]", ""}}, 
   {276.1746, 11.402251, "Meta"} -> {{37371, 36940, 37686}, 
     {"cyclandelate [ C17 H24 O3, db=51.54, overall=51.44, mfg=51.34, KEGG \
ID=, CAS ID=456-59-7 ]", "456-59-7"}}, {366.0996, 11.399315, "Meta"} -> 
    {{29451, 29465, 27695}, {"Atovaquone [ C22 H19 Cl O3, db=53.19, \
overall=53.31, mfg=53.43, KEGG ID=C06835, CAS ID=95233-18-4 ]", 
      "95233-18-4"}}, {602.2073, 11.398214, "Meta"} -> 
    {{8418, 11595, 10206}, 
     {" [ C25 H30 N8 O10, db=0.00, overall=37.46, mfg=74.92 ]", ""}}, 
   {1189.1321, 11.39939, "Meta"} -> {{31811, 32689, 32804}, 
     {" [ C42 H35 N11 O29 S, db=0.00, overall=41.24, mfg=82.47 ]", ""}}, 
   {350.1342, 11.3990555, "Meta"} -> {{79237, 82219, 82888}, 
     {" [ C22 H22 O2 S, db=0.00, overall=47.55, mfg=95.09 ]", ""}}, 
   {214.1571, 11.401833, "Meta"} -> {{210278, 236190, 208628}, 
     {"3R-hydroxy-5Z-dodecenoic acid [ C12 H22 O3, db=93.65, overall=94.84, \
mfg=96.03, Lipid ID=, KEGG ID= ]", ""}}, {372.1163, 11.399555, "Meta"} -> 
    {{38748, 43585, 43251}, 
     {" [ C16 H24 N2 O4 S2, db=0.00, overall=45.56, mfg=91.11 ]", ""}}, 
   {172.1463, 11.398837, "Meta"} -> {{53095, 48274, 33870}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=74.13, overall=74.14, \
mfg=74.16, Lipid ID=, KEGG ID= ]", ""}}, {444.2205, 11.438863, "Meta"} -> 
    {{32504, 37377, 16724}, 
     {" [ C22 H37 Cl N2 O3 S, db=0.00, overall=38.54, mfg=77.08 ]", ""}}, 
   {336.1573, 11.4342575, "Meta"} -> {{31354, 65440, 37335}, 
     {" [ C19 H28 O S2, db=0.00, overall=43.47, mfg=86.93 ]", ""}}, 
   {456.236, 11.450527, "Meta"} -> {{128364, 129474, 119988}, 
     {"Phe Tyr Lys [ C24 H32 N4 O5, db=93.68, overall=93.42, mfg=77.40 ]", 
      ""}}, {496.267, 11.456223, "Meta"} -> {{29818, 34049, 26610}, 
     {" [ C27 H44 O4 S2, db=0.00, overall=39.56, mfg=37.15 ]", ""}}, 
   {170.1306, 11.457169, "Meta"} -> {{35354, 46275, 31932}, 
     {"9-Decenoic acid [ C10 H18 O2, db=86.80, overall=86.82, mfg=86.85, KEGG \
ID=, CAS ID=14436-32-9 ]", "14436-32-9"}}, {210.1256, 11.46075, "Meta"} -> 
    {{130959, 147181, 133182}, {"Jasmonic acid [ C12 H18 O3, db=95.72, \
overall=96.46, mfg=97.20, Lipid ID=LMFA02020001, KEGG ID= ]", ""}}, 
   {506.2153, 11.476637, "Meta"} -> {{33167, 37368, 28551}, 
     {" [ C26 H34 O10, db=0.00, overall=48.71, mfg=97.43 ]", ""}}, 
   {216.1726, 11.484165, "Meta"} -> {{64660, 71254, 55573}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=86.57, overall=86.63, \
mfg=86.69, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {371.2673, 11.486605, "Meta"} -> {{68477, 67960, 65465}, 
     {" [ C21 H33 N5 O, db=0.00, overall=34.57, mfg=69.13 ]", ""}}, 
   {531.317, 11.52876, "Meta"} -> {{16004, 17533, 15470}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=47.30, mfg=94.61 ]", ""}}, 
   {449.3141, 11.528724, "Meta"} -> {{269554, 303079, 261768}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=99.75, overall=99.75, \
mfg=99.75, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {432.2364, 11.529799, "Meta"} -> {{14853, 17406, 14857}, 
     {" [ C22 H40 O4 S2, db=0.00, overall=42.99, mfg=85.99 ]", ""}}, 
   {250.1571, 11.543335, "Meta"} -> {{50796, 49856, 43385}, 
     {"Gemfibrozil [ C15 H22 O3, db=91.62, overall=92.47, mfg=93.32, KEGG \
ID=, CAS ID=25812-30-0 ]", "25812-30-0"}}, {384.1617, 11.538899, "Meta"} -> 
    {{29490, 32838, 29733}, {"19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate \
[ C19 H28 O6 S, db=62.12, overall=61.78, mfg=61.45, KEGG ID=, CAS ID= ]", 
      ""}}, {654.2299, 11.549442, "Meta"} -> {{120163, 113660, 157009}, 
     {" [ C31 H30 N10 O7, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {632.2483, 11.550472, "Meta"} -> {{839791, 826413, 1077590}, 
     {" [ C33 H36 N4 O9, db=0.00, overall=49.95, mfg=99.91 ]", ""}}, 
   {172.1463, 11.560459, "Meta"} -> {{55446, 66940, 67120}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=79.88, overall=79.89, \
mfg=79.90, Lipid ID=, KEGG ID= ]", ""}}, {466.2565, 11.574749, "Meta"} -> 
    {{150920, 159268, 136245}, {"Androsterone glucuronide [ C25 H38 O8, \
db=97.94, overall=98.05, mfg=98.15, KEGG ID=C11135, CAS ID=1852-43-3 ]", 
      "1852-43-3"}}, {412.1921, 11.588333, "Meta"} -> 
    {{154539, 157667, 144616}, {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl \
sulfate [ C21 H32 O6 S, db=82.57, overall=82.60, mfg=82.63, KEGG ID=, CAS ID= \
]", ""}}, {444.2189, 11.599555, "Meta"} -> {{39392, 43883, 39759}, 
     {"17,18-dehydro-clavulone I [ C25 H32 O7, db=35.17, overall=43.80, \
mfg=52.42, Lipid ID=LMFA03120018, KEGG ID= ]", ""}}, 
   {540.2567, 11.612873, "Meta"} -> {{57286, 65404, 53424}, 
     {"17-alpha, \
21-dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 \
H40 O11, db=73.43, overall=75.93, mfg=36.10, KEGG ID=, CAS ID= ]", ""}}, 
   {258.1832, 11.625111, "Meta"} -> {{463372, 538107, 498515}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=77.00, overall=77.26, \
mfg=45.56, Lipid ID=, KEGG ID= ]", ""}}, {598.2422, 11.628173, "Meta"} -> 
    {{36773, 37805, 32956}, 
     {" [ C33 H42 O6 S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {386.2459, 11.63089, "Meta"} -> {{74222, 71762, 70064}, 
     {"12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic Acid [ C24 H34 O4, \
db=78.11, overall=79.62, mfg=81.13, Lipid ID=, KEGG ID= ]", ""}}, 
   {448.2637, 11.63316, "Meta"} -> {{11260, 15190, 1}, 
     {" [ C26 H40 O4 S, db=0.00, overall=37.68, mfg=75.37 ]", ""}}, 
   {216.1727, 11.6531105, "Meta"} -> {{141466, 161233, 143417}, 
     {"4-hydroxy lauric acid [ C12 H24 O3, db=99.55, overall=99.57, \
mfg=99.59, Lipid ID=LMFA01050038, KEGG ID= ]", ""}}, 
   {332.2565, 11.662055, "Meta"} -> {{77900, 85326, 86239}, 
     {"Phloionolic acid [ C18 H36 O5, db=98.08, overall=98.17, mfg=98.25, \
Lipid ID=LMFA01050103, KEGG ID= ]", ""}}, {270.1831, 11.6778755, "Meta"} -> 
    {{1, 28779, 25210}, 
     {" [ C15 H26 O4, db=0.00, overall=34.07, mfg=68.14 ]", ""}}, 
   {498.2829, 11.689418, "Meta"} -> {{112788, 122967, 114359}, 
     {" [ C26 H42 O9, db=0.00, overall=37.00, mfg=74.01 ]", ""}}, 
   {490.2252, 11.717973, "Meta"} -> {{60910, 68165, 63094}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=93.71, overall=94.26, mfg=94.81, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {370.1817, 11.718166, "Meta"} -> {{1679687, 1900454, 1658461}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.75, \
overall=98.84, mfg=98.92, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {1291.1824, 11.717242, "Meta"} -> {{29144, 30209, 27773}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.01, mfg=88.02 ]", ""}}, 
   {452.1845, 11.719521, "Meta"} -> {{21575, 25524, 19793}, 
     {" [ C19 H36 N2 O4 S3, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {500.2983, 11.737, "Meta"} -> {{135016, 147989, 128096}, 
     {" [ C26 H44 O9, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {240.1727, 11.74783, "Meta"} -> {{64881, 76142, 64242}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=76.00, overall=76.02, mfg=76.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {270.1831, 11.754407, "Meta"} -> {{33443, 37944, 35000}, 
     {" [ C15 H26 O4, db=0.00, overall=32.29, mfg=64.58 ]", ""}}, 
   {428.1874, 11.750383, "Meta"} -> {{160412, 169121, 150685}, 
     {"Pyridinoline [ C18 H28 N4 O8, db=60.05, overall=59.29, mfg=73.40, HMP \
ID=HMDB00851, KEGG ID= ]", ""}}, {386.1764, 11.774584, "Meta"} -> 
    {{210769, 228183, 210802}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=55.79, overall=56.20, mfg=56.61 ]", 
      ""}}, {266.15, 11.800882, "Meta"} -> {{50712, 46386, 50009}, 
     {"5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pentanoic acid \
(Gemfibrozil M1) [ C15 H22 O4, db=49.70, overall=49.00, mfg=48.30, KEGG ID=, \
CAS ID=80373-12-2 ]", "80373-12-2"}}, {290.1714, 11.802249, "Meta"} -> 
    {{50352, 66869, 60641}, 
     {" [ C11 H18 N10, db=0.00, overall=45.55, mfg=91.10 ]", ""}}, 
   {184.1465, 11.801194, "Meta"} -> {{1275014, 1425184, 1351947}, 
     {"3E-undecenoic acid [ C11 H20 O2, db=99.68, overall=71.04, mfg=99.71, \
Lipid ID=, KEGG ID= ]", ""}}, {246.1641, 11.801137, "Meta"} -> 
    {{83642, 91188, 82758}, 
     {" [ C13 H26 O2 S, db=0.00, overall=43.51, mfg=87.02 ]", ""}}, 
   {547.3119, 11.805213, "Meta"} -> {{42078, 48014, 41967}, 
     {" [ C34 H45 N O3 S, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {465.3091, 11.8062525, "Meta"} -> {{540821, 611263, 544641}, 
     {"Cholylglycine [ C26 H43 N O6, db=99.75, overall=95.19, mfg=99.80, KEGG \
ID=, CAS ID=475-31-0 ]", "475-31-0"}}, {196.1464, 11.811382, "Meta"} -> 
    {{81302, 1, 90691}, {"4-dodecynoic acid [ C12 H20 O2, db=82.82, \
overall=82.95, mfg=83.08, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2257, 11.777833, "Meta"} -> {{15927, 33179, 12257}, 
     {" [ C18 H27 Cl N14, overall=32.53, mfg=65.07 ]", ""}}, 
   {388.1919, 11.821087, "Meta"} -> {{283136, 323350, 284485}, 
     {"Quassin [ C22 H28 O6, db=67.16, overall=68.37, mfg=69.57, Lipid \
ID=LMPR01060018, KEGG ID=C08778 ]", ""}}, {270.1831, 11.839187, "Meta"} -> 
    {{47152, 53693, 51280}, 
     {" [ C15 H26 O4, db=0.00, overall=33.29, mfg=66.58 ]", ""}}, 
   {490.2777, 11.809624, "Meta"} -> {{28570, 32823, 26025}, 
     {" [ C25 H46 O5 S2, db=0.00, overall=39.49, mfg=42.66 ]", ""}}, 
   {254.1492, 11.8337345, "Meta"} -> {{40354, 48936, 48610}, 
     {" [ C10 H18 N6 O2, db=0.00, overall=41.87, mfg=83.74 ]", ""}}, 
   {234.1641, 11.832334, "Meta"} -> {{81558, 79851, 69058}, 
     {" [ C12 H26 O2 S, db=0.00, overall=43.63, mfg=87.27 ]", ""}}, 
   {172.1466, 11.832306, "Meta"} -> {{1097860, 1186281, 1139433}, 
     {"3-methyl-nonanoic acid [ C10 H20 O2, db=99.51, overall=69.98, \
mfg=99.51, Lipid ID=, KEGG ID= ]", ""}}, {449.3136, 11.834251, "Meta"} -> 
    {{111376, 130926, 113827}, {"Glycoursodeoxycholic acid [ C26 H43 N O5, \
db=97.74, overall=97.85, mfg=97.95, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {466.2567, 11.838141, "Meta"} -> {{37694, 37713, 34665}, 
     {"Androsterone glucuronide [ C25 H38 O8, db=64.05, overall=64.06, \
mfg=64.07, KEGG ID=C11135, CAS ID=1852-43-3 ]", "1852-43-3"}}, 
   {566.3087, 11.856166, "Meta"} -> {{52620, 126176, 58610}, 
     {" [ C20 H49 Cl3 N10 O2, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {510.2826, 11.854654, "Meta"} -> {{1, 45556, 40858}, 
     {" [ C27 H42 O9, db=0.00, overall=39.04, mfg=78.07 ]", ""}}, 
   {351.2177, 11.862943, "Meta"} -> {{57890, 65199, 55778}, 
     {" [ C19 H25 N7, db=0.00, overall=42.04, mfg=84.09 ]", ""}}, 
   {278.1888, 11.870466, "Meta"} -> {{1, 69603, 55369}, 
     {"7-hydroxy-10E,16-heptadecadien-8-ynoic acid [ C17 H26 O3, db=96.31, \
overall=96.41, mfg=96.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {399.9438, 11.874171, "Meta"} -> {{65814, 76252, 68342}, 
     {" [ C11 H4 N4 O9 S2, db=0.00, overall=39.71, mfg=79.42 ]", ""}}, 
   {382.1459, 11.875422, "Meta"} -> {{15478, 24089, 15103}, 
     {"Loratadine [ C22 H23 Cl N2 O2, db=70.12, overall=69.62, mfg=69.12, \
KEGG ID=C07081, CAS ID=79794-75-5 ]", "79794-75-5"}}, 
   {529.3014, 11.879704, "Meta"} -> {{25704, 28868, 26495}, 
     {" [ C27 H43 N7 S2, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {447.2986, 11.879584, "Meta"} -> {{348703, 380990, 344055}, 
     {" [ C27 H45 N S2, db=0.00, overall=38.07, mfg=76.14 ]", ""}}, 
   {309.2307, 11.88348, "Meta"} -> {{1, 70817, 1}, 
     {" [ C18 H31 N O3, db=0.00, overall=41.19, mfg=82.37 ]", ""}}, 
   {369.2513, 11.9116, "Meta"} -> {{105217, 31362, 1}, 
     {" [ C20 H35 N O5, db=0.00, overall=35.30, mfg=70.59 ]", ""}}, 
   {258.1831, 11.894611, "Meta"} -> {{137297, 145272, 141823}, 
     {"2-methyl-tridecanedioic acid [ C14 H26 O4, db=99.53, overall=99.54, \
mfg=44.46, Lipid ID=, KEGG ID= ]", ""}}, {675.3618, 11.898498, "Meta"} -> 
    {{31857, 38266, 32991}, 
     {" [ C41 H49 N5 O2 S, db=0.00, overall=46.82, mfg=93.63 ]", ""}}, 
   {366.1502, 11.902554, "Meta"} -> {{101085, 110002, 97325}, 
     {" [ C19 H26 O5 S, db=0.00, overall=36.73, mfg=73.46 ]", ""}}, 
   {355.2549, 11.907098, "Meta"} -> {{32742, 38647, 34667}, 
     {" [ C20 H37 N O2 S, db=0.00, overall=40.55, mfg=81.11 ]", ""}}, 
   {664.2379, 11.919863, "Meta"} -> {{193896, 185138, 272432}, 
     {" [ C33 H36 N4 O11, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {294.1834, 11.920778, "Meta"} -> {{15647, 1, 16466}, 
     {" [ C18 H22 N4, db=0.00, overall=39.96, mfg=79.92 ]", ""}}, 
   {512.2984, 11.923445, "Meta"} -> {{329166, 376348, 324472}, 
     {" [ C27 H44 O9, db=0.00, overall=49.42, mfg=98.83 ]", ""}}, 
   {594.3019, 11.924777, "Meta"} -> {{26608, 27732, 24306}, 
     {" [ C35 H46 O6 S, db=0.00, overall=42.85, mfg=85.70 ]", ""}}, 
   {224.1413, 11.933306, "Meta"} -> {{63916, 79417, 70216}, 
     {"Methyl jasmonate [ C13 H20 O3, db=94.02, overall=94.04, mfg=94.06, \
KEGG ID=C11512, CAS ID=1211-29-6 ]", "1211-29-6"}}, 
   {375.2986, 11.94175, "Meta"} -> {{359992, 351423, 329721}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {515.2926, 11.943273, "Meta"} -> {{24089, 30388, 30920}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=81.34, overall=81.87, \
mfg=82.41, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {566.3086, 11.948454, "Meta"} -> {{21025, 1, 19172}, 
     {" [ C27 H39 Cl N12, db=0.00, overall=34.50, mfg=44.90 ]", ""}}, 
   {312.2303, 11.974571, "Meta"} -> {{77109, 90163, 79608}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=63.99, \
overall=63.96, mfg=63.93, Lipid ID=, KEGG ID= ]", ""}}, 
   {196.1465, 11.981694, "Meta"} -> {{176514, 204457, 182321}, 
     {"4-dodecynoic acid [ C12 H20 O2, db=98.17, overall=98.20, mfg=98.24, \
Lipid ID=, KEGG ID= ]", ""}}, {240.1726, 12.026642, "Meta"} -> 
    {{23764, 24993, 20489}, {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic \
acid [ C14 H24 O3, db=79.02, overall=79.21, mfg=79.40, Lipid ID=, KEGG ID= ]"\
, ""}}, {414.2078, 12.023414, "Meta"} -> {{102908, 125095, 103743}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=73.99, overall=75.30, mfg=76.60 ]", 
      ""}}, {608.158, 12.048608, "Meta"} -> {{1, 22235, 25025}, 
     {" [ C29 H36 O8 S3, db=0.00, overall=44.61, mfg=89.21 ]", ""}}, 
   {373.283, 12.002595, "Meta"} -> {{63032, 1, 75015}, 
     {" [ C20 H39 N O5, db=0.00, overall=38.34, mfg=76.68 ]", ""}}, 
   {758.3132, 12.048389, "Meta"} -> {{116709, 149326, 133665}, 
     {" [ C36 H50 N6 O8 S2, db=0.00, overall=49.56, mfg=99.11 ]", ""}}, 
   {840.3156, 12.044708, "Meta"} -> {{17779, 22972, 20788}, 
     {" [ C36 H48 N12 O8 S2, db=0.00, overall=43.96, mfg=87.92 ]", ""}}, 
   {1289.1671, 12.049445, "Meta"} -> {{286123, 371842, 306862}, 
     {" [ C47 H35 N15 O30, db=0.00, overall=44.29, mfg=88.59 ]", ""}}, 
   {368.1652, 12.049038, "Meta"} -> {{2.44*^7, 2.88*^7, 2.59*^7}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=94.73, overall=87.41, \
mfg=96.74, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {450.1689, 12.049416, "Meta"} -> {{329708, 351506, 323256}, 
     {" [ C19 H26 N6 O5 S, db=0.00, overall=49.00, mfg=98.00 ]", ""}}, 
   {488.2093, 12.050001, "Meta"} -> {{618024, 759829, 692849}, 
     {" [ C24 H32 N4 O5 S, overall=49.45, mfg=98.90 ]", ""}}, 
   {532.1716, 12.049278, "Meta"} -> {{72480, 74102, 72269}, 
     {" [ C27 H28 N6 O2 S2, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {474.191, 12.050779, "Meta"} -> {{127883, 128650, 124080}, 
     {" [ C19 H34 N6 O2 S3, db=0.00, overall=47.98, mfg=95.95 ]", ""}}, 
   {518.1982, 12.050084, "Meta"} -> {{27887, 26288, 23630}, 
     {"Gossypol [ C30 H30 O8, db=56.07, overall=56.23, mfg=56.39, Lipid \
ID=LMPR01030019, KEGG ID=C07667 ]", ""}}, {526.1549, 12.049138, "Meta"} -> 
    {{36382, 42545, 41189}, 
     {" [ C22 H30 N4 O7 S2, db=0.00, overall=46.65, mfg=93.30 ]", ""}}, 
   {480.179, 12.046626, "Meta"} -> {{1, 22423, 23843}, 
     {" [ C28 H32 O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {614.1751, 12.049276, "Meta"} -> {{20745, 21224, 21723}, 
     {" [ C30 H34 N2 O8 S2, db=0.00, overall=44.79, mfg=89.58 ]", ""}}, 
   {568.3247, 12.072833, "Meta"} -> {{72861, 91184, 69170}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.19, overall=98.17, \
mfg=98.14, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {242.1881, 12.072845, "Meta"} -> {{1, 1, 44694}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=82.32, \
overall=82.60, mfg=82.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {331.2548, 12.082548, "Meta"} -> {{32961, 45885, 44811}, 
     {" [ C18 H37 N O2 S, db=0.00, overall=42.08, mfg=84.15 ]", ""}}, 
   {278.152, 12.0820875, "Meta"} -> {{41092, 34462, 37456}, 
     {" [ C16 H22 O4, db=0.00, overall=37.28, mfg=74.56 ]", ""}}, 
   {236.1414, 12.0865, "Meta"} -> {{44312, 53494, 47789}, 
     {" [ C14 H20 O3, db=0.00, overall=39.08, mfg=78.17 ]", ""}}, 
   {468.2723, 12.08548, "Meta"} -> {{25623, 33899, 22245}, 
     {"3alpha-androstanediol glucuronide [ C25 H40 O8, db=80.99, \
overall=81.06, mfg=81.14, Lipid ID=LMST05010004, KEGG ID= ]", ""}}, 
   {372.197, 12.089192, "Meta"} -> {{308464, 327039, 294064}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=67.20, overall=68.33, \
mfg=69.46, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {343.2364, 12.110409, "Meta"} -> {{45528, 42736, 35296}, 
     {" [ C19 H37 N S2, db=0.00, overall=39.15, mfg=78.29 ]", ""}}, 
   {300.1939, 12.100485, "Meta"} -> {{23917, 25185, 23381}, 
     {"5a,7a-Dihydroxy-11-ketotetranorprostanoic acid [ C16 H28 O5, db=64.38, \
overall=65.43, mfg=66.48, KEGG ID=, CAS ID=24379-94-0 ]", "24379-94-0"}}, 
   {234.1622, 12.111937, "Meta"} -> {{27103, 1, 26413}, 
     {" [ C15 H22 O2, db=0.00, overall=33.37, mfg=66.73 ]", ""}}, 
   {250.1933, 12.126601, "Meta"} -> {{53349, 63510, 53213}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=84.73, overall=84.75, \
mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, {244.2039, 12.136858, "Meta"} -> 
    {{47200, 52321, 45453}, {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.18, \
overall=85.20, mfg=85.22, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {344.1647, 12.149668, "Meta"} -> {{29620, 37628, 32195}, 
     {"16-Hydroxy-4-carboxyretinoic acid [ C20 H24 O5, db=65.67, \
overall=66.20, mfg=66.73, KEGG ID=, CAS ID=99665-36-8 ]", "99665-36-8"}}, 
   {282.147, 12.148917, "Meta"} -> {{596250, 676258, 593533}, 
     {"Artemisinin [ C15 H22 O5, db=99.58, overall=99.58, mfg=99.59, KEGG \
ID=C09538, CAS ID=63968-64-9 ]", "63968-64-9"}}, 
   {364.1497, 12.147243, "Meta"} -> {{27139, 28876, 26775}, 
     {"Ser Cys Arg [ C12 H24 N6 O5 S, db=63.02, overall=64.66, mfg=66.30 ]", 
      ""}}, {388.1722, 12.149611, "Meta"} -> {{60855, 81117, 64201}, 
     {"Gln Asn Gln [ C14 H24 N6 O7, db=87.86, overall=88.54, mfg=89.23 ]", 
      ""}}, {284.1989, 12.133518, "Meta"} -> {{1, 17326, 56978}, 
     {" [ C16 H28 O4, db=0.00, overall=32.41, mfg=64.82 ]", ""}}, 
   {375.2985, 12.156307, "Meta"} -> {{273404, 252639, 241044}, 
     {" [ C20 H41 N O5, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {392.2927, 12.157829, "Meta"} -> {{41125, 49089, 41742}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=96.20, \
overall=79.15, mfg=44.13, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {454.3108, 12.157751, "Meta"} -> {{59944, 70704, 63757}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=79.80, overall=80.28, mfg=80.75, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {373.283, 12.163533, "Meta"} -> 
    {{34593, 1, 1}, {" [ C20 H39 N O5, db=0.00, overall=37.07, mfg=74.15 ]", 
      ""}}, {498.3181, 12.159394, "Meta"} -> {{22685, 25158, 23124}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {584.3195, 12.1624, "Meta"} -> {{22045, 21445, 22640}, 
     {"Cholic acid glucuronide [ C30 H48 O11, db=80.82, overall=82.02, \
mfg=83.21, HMP ID=HMDB02577, KEGG ID= ]", ""}}, 
   {434.2883, 12.167889, "Meta"} -> {{64061, 60840, 55152}, 
     {"(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide / \
(5Z)-(3S)-1alpha,25-dihydroxy-3-deo [ C26 H42 O3 S, db=72.14, overall=73.29, \
mfg=74.43, Lipid ID=LMST03020052, KEGG ID= ]", ""}}, 
   {296.1989, 12.169234, "Meta"} -> {{12462, 100677, 77115}, 
     {"10-Deoxymethynolide [ C17 H28 O4, db=66.31, overall=66.96, mfg=67.62, \
Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {508.2312, 12.185639, "Meta"} -> {{390855, 443530, 389033}, 
     {" [ C26 H36 O10, db=0.00, overall=49.90, mfg=94.88 ]", ""}}, 
   {530.2126, 12.185695, "Meta"} -> {{47648, 49530, 51813}, 
     {"Trp Tyr Tyr [ C29 H30 N4 O6, db=74.75, overall=74.86, mfg=74.97 ]", 
      ""}}, {612.2152, 12.186811, "Meta"} -> 
    {{1, 1, 1}, {" [ C25 H32 N12 O3 S2, db=0.00, overall=41.85, mfg=83.70 ]", 
      ""}}, {377.2332, 12.191944, "Meta"} -> {{109241, 145775, 139245}, 
     {"Val Leu Phe [ C20 H31 N3 O4, db=87.10, overall=87.79, mfg=88.47 ]", 
      ""}}, {398.2305, 12.197333, "Meta"} -> {{213855, 234064, 211822}, 
     {" [ C21 H34 O7, overall=48.94, mfg=97.89 ]", ""}}, 
   {567.3404, 12.201852, "Meta"} -> {{66321, 73326, 67312}, 
     {" [ C35 H45 N5 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {496.3032, 12.219701, "Meta"} -> {{57718, 60406, 60206}, 
     {"GS 1500 [ C31 H44 O3 S, db=51.08, overall=50.78, mfg=50.47, Lipid \
ID=LMST03020614, KEGG ID= ]", ""}}, {1335.2083, 12.219137, "Meta"} -> 
    {{30997, 35396, 34083}, 
     {" [ C45 H37 N21 O29, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {534.251, 12.21825, "Meta"} -> {{109029, 113573, 111659}, 
     {" [ C26 H38 N4 O6 S, db=0.00, overall=48.69, mfg=97.38 ]", ""}}, 
   {496.2108, 12.2203865, "Meta"} -> {{30072, 36311, 32436}, 
     {" [ C29 H36 O3 S2, db=0.00, overall=45.51, mfg=91.01 ]", ""}}, 
   {414.2082, 12.219304, "Meta"} -> {{2576121, 2885886, 2555751}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=76.02, overall=76.34, mfg=76.66 ]", 
      ""}}, {520.2324, 12.2195635, "Meta"} -> {{1, 29074, 25243}, 
     {" [ C29 H44 S4, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {308.1989, 12.23, "Meta"} -> {{19071, 7986, 1}, 
     {" [ C18 H28 O4, db=0.00, overall=32.57, mfg=65.13 ]", ""}}, 
   {374.2128, 12.230064, "Meta"} -> {{24402, 1, 25337}, 
     {"Leu Asp Lys [ C16 H30 N4 O6, db=42.10, overall=43.30, mfg=44.49 ]", 
      ""}}, {398.1764, 12.236195, "Meta"} -> {{203767, 243006, 210358}, 
     {" [ C20 H30 O6 S, db=0.00, overall=47.92, mfg=47.59 ]", ""}}, 
   {284.1989, 12.240916, "Meta"} -> {{266954, 296447, 253028}, 
     {" [ C16 H28 O4, db=0.00, overall=42.46, mfg=46.62 ]", ""}}, 
   {280.2041, 12.243668, "Meta"} -> {{669471, 743060, 680142}, 
     {"12S-HHTrE [ C17 H28 O3, db=99.19, overall=99.22, mfg=99.26, KEGG ID=, \
CAS ID= ]", ""}}, {362.2079, 12.241624, "Meta"} -> 
    {{20650, 24221, 22741}, {"20alpha-Dihydroprednisolone [ C21 H30 O5, \
db=73.27, overall=74.23, mfg=75.19, KEGG ID=, CAS ID=15847-24-2 ]", 
      "15847-24-2"}}, {324.211, 12.24494, "Meta"} -> 
    {{59795, 66411, 57687}, {"4,7,10,13-Docosatetraynoic acid [ C22 H28 O2, \
db=62.97, overall=63.62, mfg=64.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {314.2459, 12.245145, "Meta"} -> {{71087, 74527, 67340}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.21, overall=89.84, mfg=90.47, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {308.1627, 12.250629, "Meta"} -> 
    {{39284, 41778, 42281}, 
     {" [ C17 H24 O5, db=0.00, overall=47.54, mfg=95.08 ]", ""}}, 
   {614.3664, 12.249584, "Meta"} -> {{116406, 127558, 112994}, 
     {" [ C32 H54 O11, db=0.00, overall=49.49, mfg=98.98 ]", ""}}, 
   {242.1885, 12.252557, "Meta"} -> {{127452, 148397, 149456}, 
     {"14-hydroxy-12-tetradecenoic acid [ C14 H26 O3, db=92.81, \
overall=93.80, mfg=94.80, Lipid ID=, KEGG ID= ]", ""}}, 
   {390.2777, 12.243776, "Meta"} -> {{35742, 45215, 1}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=75.13, \
overall=75.57, mfg=76.00, Lipid ID=, KEGG ID= ]", ""}}, 
   {235.1573, 12.267084, "Meta"} -> {{232939, 179845, 246721}, 
     {" [ C14 H21 N O2, db=0.00, overall=49.15, mfg=98.29 ]", ""}}, 
   {376.1896, 12.269028, "Meta"} -> {{43850, 52061, 46250}, 
     {"Arg Val Cys [ C14 H28 N6 O4 S, db=74.72, overall=74.92, mfg=75.12 ]", 
      ""}}, {644.2846, 12.271241, "Meta"} -> {{17878, 19377, 17241}, 
     {" [ C35 H48 O7 S2, db=0.00, overall=45.61, mfg=91.22 ]", ""}}, 
   {238.1571, 12.28228, "Meta"} -> {{420035, 447652, 440242}, 
     {"(9R,13R)-1a,1b-dihomo-jasmonic acid [ C14 H22 O3, db=97.46, \
overall=97.98, mfg=98.50, Lipid ID=LMFA02010010, KEGG ID= ]", ""}}, 
   {300.1751, 12.281834, "Meta"} -> {{80192, 86450, 84205}, 
     {"2-Methoxyestrone [ C19 H24 O3, db=72.82, overall=73.45, mfg=74.09, \
KEGG ID=, CAS ID=362-08-3 ]", "362-08-3"}}, {296.199, 12.279441, "Meta"} -> 
    {{45360, 1, 33897}, {"10-Deoxymethynolide [ C17 H28 O4, db=62.63, \
overall=62.55, mfg=62.47, Lipid ID=LMPK01000038, KEGG ID=C11993 ]", ""}}, 
   {371.2671, 12.296656, "Meta"} -> {{26355, 24331, 19628}, 
     {" [ C21 H33 N5 O, db=0.00, overall=31.45, mfg=62.90 ]", ""}}, 
   {344.1827, 12.2822, "Meta"} -> {{44938, 57571, 48323}, 
     {"Granisetron metabolite 1 [ C18 H24 N4 O3, db=73.00, overall=73.36, \
mfg=73.73, KEGG ID=, CAS ID= ]", ""}}, {357.2701, 12.286234, "Meta"} -> 
    {{60711, 59750, 67367}, 
     {" [ C20 H39 N O2 S, db=0.00, overall=41.98, mfg=83.96 ]", ""}}, 
   {454.3101, 12.291062, "Meta"} -> {{24231, 26073, 21125}, 
     {"Coenzyme Q4 [ C29 H42 O4, db=72.95, overall=74.20, mfg=75.44, KEGG \
ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, {222.1621, 12.292943, "Meta"} -> 
    {{51343, 82362, 55430}, 
     {" [ C14 H22 O2, db=0.00, overall=42.78, mfg=85.57 ]", ""}}, 
   {412.1921, 12.30103, "Meta"} -> {{76773, 80327, 75378}, 
     {"3-beta-hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, \
db=69.42, overall=69.64, mfg=69.86, KEGG ID=, CAS ID= ]", ""}}, 
   {392.2927, 12.300965, "Meta"} -> {{20845, 23565, 63517}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=92.60, \
overall=92.82, mfg=93.04, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {314.1871, 12.305643, "Meta"} -> {{20033, 19588, 14888}, 
     {"4-Ketoretinoic acid [ C20 H26 O3, db=56.75, overall=51.33, mfg=56.24, \
KEGG ID=, CAS ID=38030-57-8 ]", "38030-57-8"}}, 
   {408.2877, 12.308169, "Meta"} -> {{33784, 37021, 32374}, 
     {"3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O5, \
db=87.25, overall=67.31, mfg=87.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {647.3277, 12.307854, "Meta"} -> {{70406, 77699, 73563}, 
     {" [ C38 H49 N O6 S, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {198.1621, 12.306668, "Meta"} -> {{193285, 211604, 210750}, 
     {"9-lauroleic acid [ C12 H22 O2, db=96.66, overall=97.29, mfg=97.91, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {625.3472, 12.306473, "Meta"} -> 
    {{510466, 624481, 579203}, {"Glycochenodeoxycholic acid 3-glucuronide [ \
C32 H51 N O11, db=97.14, overall=97.36, mfg=96.49, HMP ID=HMDB02579, KEGG ID= \
]", ""}}, {312.2303, 12.321158, "Meta"} -> {{69614, 69577, 68235}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=83.40, \
overall=83.55, mfg=83.70, Lipid ID=, KEGG ID= ]", ""}}, 
   {328.225, 12.33436, "Meta"} -> {{1, 20171, 32899}, 
     {"9,12,13-trihydroxy-10,15-octadecadienoic acid [ C18 H32 O5, db=61.93, \
overall=62.11, mfg=62.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.199, 12.347274, "Meta"} -> {{27595, 28861, 27073}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=83.30, overall=83.33, \
mfg=83.37, Lipid ID=, KEGG ID= ]", ""}}, {186.162, 12.35339, "Meta"} -> 
    {{75857, 61720, 71231}, {"Undecylic acid [ C11 H22 O2, db=85.09, \
overall=85.12, mfg=85.15, KEGG ID=, CAS ID= ]", ""}}, 
   {527.2561, 12.364172, "Meta"} -> {{374977, 411884, 371782}, 
     {" [ C27 H45 N O3 S3, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {488.2093, 12.37348, "Meta"} -> {{20005, 26026, 22335}, 
     {"17a-Ethynylestradiol 6-glucuronide [ C26 H32 O9, db=30.98, \
overall=15.49, KEGG ID=, CAS ID= ]", ""}}, {504.3295, 12.476778, "Meta"} -> 
    {{13763, 32712, 22896}, 
     {" [ C22 H45 Cl N8 O3, db=0.00, overall=37.87, mfg=75.74 ]", ""}}, 
   {368.1659, 12.371832, "Meta"} -> {{439673, 490723, 426130}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=73.10, overall=73.26, \
mfg=73.41, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {396.1607, 12.378454, "Meta"} -> {{30587, 37458, 34814}, 
     {" [ C21 H32 O S3, overall=42.54, mfg=85.07 ]", ""}}, 
   {316.2615, 12.380192, "Meta"} -> {{77354, 85451, 80374}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=84.59, overall=84.76, \
mfg=84.93, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {452.1845, 12.391332, "Meta"} -> {{102393, 120207, 124079}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=47.59, mfg=95.17 ]", ""}}, 
   {1291.1823, 12.396278, "Meta"} -> {{138920, 145619, 132717}, 
     {" [ C47 H37 N15 O30, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {476.2067, 12.396723, "Meta"} -> {{85646, 87870, 79357}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=67.31, overall=69.05, \
mfg=70.79, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {370.1808, 12.39636, "Meta"} -> {{9254039, 1.02*^7, 9313061}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=93.89, \
overall=94.93, mfg=95.96, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {490.2249, 12.396973, "Meta"} -> {{291530, 320906, 309492}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=97.10, overall=97.73, mfg=98.35, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {378.2775, 12.395139, "Meta"} -> {{19322, 21414, 19431}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=87.40, \
overall=88.44, mfg=89.48, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {286.2146, 12.402145, "Meta"} -> {{44428, 55138, 37833}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=78.15, overall=78.26, mfg=78.37, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {841.4769, 12.406666, "Meta"} -> 
    {{30879, 36035, 32393}, 
     {" [ C42 H71 N3 O12 S, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {819.495, 12.407156, "Meta"} -> {{66762, 78855, 63061}, 
     {" [ C45 H73 N O10 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {920.6097, 12.411374, "Meta"} -> {{47910, 58474, 55836}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {449.3143, 12.411053, "Meta"} -> {{3488891, 3971488, 3625571}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.85, overall=97.26, \
mfg=99.11, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {607.3085, 12.413101, "Meta"} -> {{26034, 25844, 23480}, 
     {" [ C27 H53 N5 O2 S4, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {537.3289, 12.412324, "Meta"} -> {{44352, 57796, 52283}, 
     {" [ C19 H39 N17 S, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {449.4056, 12.41172, "Meta"} -> {{59525, 1, 51926}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.73, mfg=61.46 ]", ""}}, 
   {493.3218, 12.412466, "Meta"} -> {{49617, 53028, 47684}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=45.37, mfg=90.75 ]", ""}}, 
   {563.3259, 12.412702, "Meta"} -> {{24547, 27080, 25133}, 
     {" [ C27 H53 N3 O3 S3, db=0.00, overall=45.66, mfg=91.32 ]", ""}}, 
   {613.32, 12.412466, "Meta"} -> {{32767, 32348, 35548}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {531.317, 12.411819, "Meta"} -> {{145480, 176626, 166289}, 
     {" [ C26 H41 N7 O5, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {300.23, 12.427598, "Meta"} -> {{64034, 57366, 55401}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=86.99, overall=87.04, \
mfg=87.08, Lipid ID=, KEGG ID= ]", ""}}, {527.3222, 12.434161, "Meta"} -> 
    {{191705, 146967, 192047}, 
     {" [ C27 H41 N7 O4, db=0.00, overall=46.03, mfg=92.06 ]", ""}}, 
   {270.2192, 12.44093, "Meta"} -> {{1, 1, 1}, {"3-keto palmitic acid [ C16 \
H30 O3, db=83.97, overall=84.04, mfg=84.10, Lipid ID=LMFA01060051, KEGG ID= \
]", ""}}, {482.2879, 12.448696, "Meta"} -> {{281892, 292228, 267552}, 
     {" [ C26 H42 O8, overall=48.12, mfg=96.24 ]", ""}}, 
   {657.3511, 12.452407, "Meta"} -> {{53994, 63763, 54413}, 
     {" [ C41 H47 N5 O S, db=0.00, overall=43.85, mfg=87.70 ]", ""}}, 
   {260.1799, 12.457679, "Meta"} -> {{1, 33849, 35096}, 
     {"Falcarindiol [ C17 H24 O2, db=77.67, overall=77.65, mfg=77.63, Lipid \
ID=LMFA05000005, KEGG ID= ]", ""}}, {292.1677, 12.448104, "Meta"} -> 
    {{187208, 214692, 25807}, 
     {" [ C17 H24 O4, db=0.00, overall=47.88, mfg=95.77 ]", ""}}, 
   {198.1622, 12.4655285, "Meta"} -> {{348910, 384169, 336908}, 
     {"9-lauroleic acid [ C12 H22 O2, db=98.04, overall=98.37, mfg=98.71, \
Lipid ID=LMFA01030041, KEGG ID= ]", ""}}, {304.1977, 12.467199, "Meta"} -> 
    {{1, 48714, 50669}, 
     {" [ C18 H28 N2 S, db=0.00, overall=42.25, mfg=84.51 ]", ""}}, 
   {264.2089, 12.466646, "Meta"} -> {{1, 19714, 1}, 
     {"10E-heptadecen-8-ynoic acid [ C17 H28 O2, db=81.88, overall=81.91, \
mfg=81.95, Lipid ID=, KEGG ID= ]", ""}}, {242.1884, 12.468972, "Meta"} -> 
    {{112805, 125715, 123388}, {"14-hydroxy-12-tetradecenoic acid [ C14 H26 \
O3, db=82.55, overall=83.14, mfg=83.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {268.204, 12.485584, "Meta"} -> {{34564, 44847, 49156}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=61.83, overall=30.92, Lipid ID=, KEGG ID= ]", ""}}, 
   {474.2914, 12.493612, "Meta"} -> {{52624, 39250, 57843}, 
     {" [ C27 H42 N2 O3 S, db=0.00, overall=39.75, mfg=79.50 ]", ""}}, 
   {498.3177, 12.508206, "Meta"} -> {{44909, 37191, 44434}, 
     {" [ C24 H46 N6 O S2, db=0.00, overall=47.46, mfg=94.93 ]", ""}}, 
   {392.2928, 12.50061, "Meta"} -> {{345993, 478579, 326909}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.72, \
overall=80.07, mfg=99.75, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {338.2453, 12.497964, "Meta"} -> {{13069, 26112, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=65.12, overall=65.76, mfg=66.40, \
KEGG ID=, CAS ID= ]", ""}}, {298.2144, 12.503036, "Meta"} -> 
    {{30418, 42484, 43141}, {"8E-Heptadecenedioic acid [ C17 H30 O4, \
db=63.35, overall=63.41, mfg=63.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {246.1617, 12.498423, "Meta"} -> {{49778, 23666, 35880}, 
     {" [ C16 H22 O2, db=0.00, overall=31.74, mfg=63.48 ]", ""}}, 
   {314.2459, 12.510054, "Meta"} -> {{137942, 146495, 120446}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=89.11, overall=90.33, mfg=91.55, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {449.4054, 12.514121, "Meta"} -> 
    {{61135, 89314, 56364}, 
     {" [ C21 H51 N7 O3, db=0.00, overall=30.18, mfg=60.36 ]", ""}}, 
   {920.6096, 12.514935, "Meta"} -> {{47897, 51706, 45811}, 
     {" [ C49 H84 N4 O12, db=0.00, overall=48.26, mfg=96.52 ]", ""}}, 
   {449.3134, 12.515945, "Meta"} -> {{3769245, 4138476, 3647392}, 
     {"Glycoursodeoxycholic acid [ C26 H43 N O5, db=98.23, overall=97.44, \
mfg=98.80, HMP ID=HMDB00708, KEGG ID= ]", ""}}, 
   {563.3254, 12.5151005, "Meta"} -> {{28272, 30643, 28924}, 
     {" [ C35 H49 N O S2, db=0.00, overall=46.62, mfg=93.24 ]", ""}}, 
   {493.3216, 12.515742, "Meta"} -> {{54489, 63919, 50525}, 
     {" [ C28 H47 N O4 S, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {607.3067, 12.516934, "Meta"} -> {{29837, 32295, 31870}, 
     {" [ C35 H49 N3 S3, db=0.00, overall=39.80, mfg=79.61 ]", ""}}, 
   {531.3169, 12.516698, "Meta"} -> {{161589, 186848, 173771}, 
     {" [ C34 H45 N O2 S, db=0.00, overall=48.04, mfg=96.07 ]", ""}}, 
   {294.2198, 12.520276, "Meta"} -> {{30749, 29496, 26217}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=77.08, overall=77.18, \
mfg=77.27, Lipid ID=, KEGG ID= ]", ""}}, {537.3348, 12.521725, "Meta"} -> 
    {{30490, 38582, 28388}, 
     {" [ C27 H55 N O3 S3, db=0.00, overall=44.20, mfg=88.41 ]", ""}}, 
   {414.2083, 12.521227, "Meta"} -> {{32609, 43055, 30037}, 
     {"Met His Lys [ C17 H30 N6 O4 S, db=45.50, overall=45.60, mfg=45.70 ]", 
      ""}}, {366.184, 12.519974, "Meta"} -> {{30606, 37326, 33167}, 
     {" [ C24 H22 N4, db=0.00, overall=40.99, mfg=81.99 ]", ""}}, 
   {613.3197, 12.516933, "Meta"} -> {{36023, 40551, 41708}, 
     {" [ C34 H43 N7 O2 S, db=0.00, overall=47.97, mfg=95.94 ]", ""}}, 
   {529.2717, 12.531577, "Meta"} -> {{53828, 83346, 59421}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=91.60, overall=88.02, mfg=91.31, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {416.2232, 12.537056, "Meta"} -> {{158991, 186742, 160913}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=65.05, \
overall=66.20, mfg=67.35, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {628.382, 12.548612, "Meta"} -> {{136019, 160359, 125923}, 
     {" [ C33 H56 O11, db=0.00, overall=48.29, mfg=47.49 ]", ""}}, 
   {400.1919, 12.553667, "Meta"} -> {{57775, 66930, 72069}, 
     {" [ C20 H32 O6 S, db=0.00, overall=44.27, mfg=88.53 ]", ""}}, 
   {292.1679, 12.553386, "Meta"} -> {{75321, 91209, 71205}, 
     {" [ C17 H24 O4, db=0.00, overall=42.12, mfg=84.24 ]", ""}}, 
   {372.1972, 12.562194, "Meta"} -> {{615761, 679160, 592592}, 
     {"Pro Glu Lys [ C16 H28 N4 O6, db=64.66, overall=65.69, mfg=66.73 ]", 
      ""}}, {316.171, 12.570305, "Meta"} -> {{75362, 85099, 75888}, 
     {" [ C16 H28 O4 S, db=0.00, overall=49.53, mfg=99.07 ]", ""}}, 
   {266.1881, 12.574707, "Meta"} -> {{31267, 43486, 28234}, 
     {"Tetranor-12(R)-HETE [ C16 H26 O3, db=82.03, overall=82.15, mfg=82.27, \
Lipid ID=LMFA01050143, KEGG ID= ]", ""}}, {316.2615, 12.581583, "Meta"} -> 
    {{110275, 101997, 116174}, {"7,8-dihydroxy stearic acid [ C18 H36 O4, \
db=85.20, overall=85.32, mfg=85.44, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {200.1776, 12.580546, "Meta"} -> {{48340, 56086, 51053}, 
     {"Lauric acid [ C12 H24 O2, db=82.58, overall=82.63, mfg=82.68, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {357.288, 12.587972, "Meta"} -> 
    {{182808, 181181, 174833}, 
     {" [ C20 H39 N O4, db=0.00, overall=49.81, mfg=99.61 ]", ""}}, 
   {310.2146, 12.579029, "Meta"} -> {{337505, 446279, 387216}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=86.37, \
overall=87.36, mfg=46.40, Lipid ID=, KEGG ID= ]", ""}}, 
   {609.3252, 12.588963, "Meta"} -> {{146537, 124363, 134080}, 
     {" [ C22 H51 N5 O12 S, db=0.00, overall=47.86, mfg=95.71 ]", ""}}, 
   {527.3225, 12.591148, "Meta"} -> {{1908973, 1479516, 1527545}, 
     {" [ C20 H41 N13 O2 S, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {244.204, 12.588277, "Meta"} -> {{94010, 105948, 96132}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=99.23, overall=99.23, \
mfg=99.23, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {334.2149, 12.590001, "Meta"} -> {{22133, 26971, 18431}, 
     {"bicyclo-PGE2 [ C20 H30 O4, db=63.16, overall=64.24, mfg=65.32, Lipid \
ID=LMFA03010034, KEGG ID= ]", ""}}, {499.2699, 12.597885, "Meta"} -> 
    {{233508, 244154, 267759}, 
     {" [ C28 H33 N7 O2, db=0.00, overall=46.99, mfg=93.99 ]", ""}}, 
   {298.2144, 12.612264, "Meta"} -> {{146853, 196889, 160265}, 
     {"8E-Heptadecenedioic acid [ C17 H30 O4, db=80.29, overall=80.40, \
mfg=47.52, Lipid ID=, KEGG ID= ]", ""}}, {577.3379, 12.609758, "Meta"} -> 
    {{149565, 126281, 141100}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.97, mfg=91.94 ]", ""}}, 
   {370.1814, 12.601705, "Meta"} -> {{72854, 334706, 289766}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=85.16, \
overall=85.19, mfg=85.22, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {224.1777, 12.586028, "Meta"} -> {{105486, 26081, 23284}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=89.84, overall=90.93, \
mfg=92.02, Lipid ID=, KEGG ID= ]", ""}}, {601.3379, 12.635516, "Meta"} -> 
    {{441506, 373133, 415806}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.91, mfg=95.83 ]", ""}}, 
   {302.1919, 12.647075, "Meta"} -> {{19408, 18363, 22191}, 
     {" [ C16 H30 O3 S, db=0.00, overall=40.97, mfg=81.95 ]", ""}}, 
   {373.2829, 12.662529, "Meta"} -> {{253362, 236976, 232597}, 
     {" [ C20 H39 N O5, db=0.00, overall=46.59, mfg=93.18 ]", ""}}, 
   {553.3379, 12.670232, "Meta"} -> {{418392, 336482, 372526}, 
     {" [ C29 H43 N7 O4, db=0.00, overall=38.47, mfg=76.95 ]", ""}}, 
   {626.3663, 12.6687155, "Meta"} -> {{45121, 55882, 47362}, 
     {" [ C31 H50 N10 S2, db=0.00, overall=42.56, mfg=64.91 ]", ""}}, 
   {568.3246, 12.67325, "Meta"} -> {{129826, 154581, 126783}, 
     {"(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl, \
b-D-Glucopyranosiduronic acid [ C30 H48 O10, db=98.34, overall=98.18, \
mfg=98.01, HMP ID=HMDB02430, KEGG ID= ]", ""}}, 
   {590.3063, 12.67258, "Meta"} -> {{15873, 20281, 17201}, 
     {"D-Urobilinogen [ C33 H42 N4 O6, db=58.23, overall=58.96, mfg=59.69, \
HMP ID=HMDB04158, KEGG ID= ]", ""}}, {461.252, 12.689134, "Meta"} -> 
    {{20870, 27134, 27757}, 
     {"Arg Arg Met [ C17 H35 N9 O4 S, db=62.99, overall=63.71, mfg=64.43 ]", 
      ""}}, {368.1658, 12.68989, "Meta"} -> {{324709, 357039, 305128}, 
     {"Testosterone sulfate [ C19 H28 O5 S, db=72.56, overall=72.75, \
mfg=72.95, KEGG ID=, CAS ID=651-45-6 ]", "651-45-6"}}, 
   {379.2488, 12.689335, "Meta"} -> {{353367, 415179, 389644}, 
     {"Celiprolol [ C20 H33 N3 O4, db=89.55, overall=64.35, mfg=89.76, KEGG \
ID=, CAS ID=56980-93-9 ]", "56980-93-9"}}, {357.2881, 12.691445, "Meta"} -> 
    {{463670, 424579, 374660}, 
     {" [ C20 H39 N O4, db=0.00, overall=48.96, mfg=97.91 ]", ""}}, 
   {224.1778, 12.698444, "Meta"} -> {{121212, 130122, 111988}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=98.09, overall=98.41, \
mfg=98.74, Lipid ID=, KEGG ID= ]", ""}}, {609.3523, 12.701114, "Meta"} -> 
    {{336274, 407552, 348727}, {"b-D-Glucopyranosiduronic acid, \
(3a,5b)-24-[(carboxymethyl)amino]-24-oxocholan-3-yl [ C32 H51 N O10, \
db=94.64, overall=94.80, mfg=95.03, HMP ID=HMDB02474, KEGG ID= ]", ""}}, 
   {413.9734, 12.70939, "Meta"} -> {{115713, 135806, 121467}, 
     {" [ C11 H10 O15 S, db=0.00, overall=43.52, mfg=87.04 ]", ""}}, 
   {286.2144, 12.710168, "Meta"} -> {{197252, 235082, 215389}, 
     {"Hexadecanedioic acid [ C16 H30 O4, db=99.69, overall=99.73, mfg=99.76, \
HMP ID=HMDB00672, KEGG ID= ]", ""}}, {369.9838, 12.708701, "Meta"} -> 
    {{63943, 71692, 66863}, 
     {" [ C10 H10 O13 S, db=0.00, overall=35.73, mfg=71.46 ]", ""}}, 
   {499.2703, 12.713068, "Meta"} -> {{264789, 243461, 268679}, 
     {" [ C24 H41 N3 O6 S, db=0.00, overall=43.92, mfg=87.84 ]", ""}}, 
   {270.2196, 12.719786, "Meta"} -> {{1, 123749, 114605}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=85.55, overall=85.57, mfg=85.59, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {411.1718, 12.7259, "Meta"} -> 
    {{48765, 55426, 49081}, 
     {" [ C20 H29 N O6 S, db=0.00, overall=40.04, mfg=80.08 ]", ""}}, 
   {598.3709, 12.731129, "Meta"} -> {{38718, 46785, 1}, 
     {" [ C37 H50 N4 O S, db=0.00, overall=47.68, mfg=95.35 ]", ""}}, 
   {548.2664, 12.736388, "Meta"} -> {{18320, 24019, 21401}, 
     {" [ C28 H44 N4 O S3, db=0.00, overall=40.70, mfg=81.40 ]", ""}}, 
   {390.2775, 12.731458, "Meta"} -> {{73178, 94941, 78468}, 
     {"12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid [ C24 H38 O4, db=96.01, \
overall=96.03, mfg=96.05, Lipid ID=, KEGG ID= ]", ""}}, 
   {428.2233, 12.738111, "Meta"} -> {{599054, 683886, 589760}, 
     {" [ C22 H36 O6 S, db=0.00, overall=49.55, mfg=99.10 ]", ""}}, 
   {402.2077, 12.738656, "Meta"} -> {{20957, 1, 20273}, 
     {"Arg Pro Met [ C16 H30 N6 O4 S, db=42.95, overall=41.88, mfg=40.81 ]", 
      ""}}, {355.2723, 12.741473, "Meta"} -> {{292824, 233632, 250229}, 
     {" [ C20 H37 N O4, db=0.00, overall=41.22, mfg=82.45 ]", ""}}, 
   {346.2509, 12.738866, "Meta"} -> {{29762, 38191, 29707}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=80.93, \
overall=81.03, mfg=81.13, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {178.172, 12.732585, "Meta"} -> {{18613, 26478, 22400}, 
     {" [ C13 H22, db=0.00, overall=36.91, mfg=73.81 ]", ""}}, 
   {577.3379, 12.74847, "Meta"} -> {{1149069, 831869, 956828}, 
     {" [ C31 H43 N7 O4, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {683.3406, 12.751358, "Meta"} -> {{146714, 119944, 134216}, 
     {" [ C28 H53 N5 O12 S, db=0.00, overall=47.55, mfg=95.10 ]", ""}}, 
   {300.2301, 12.753286, "Meta"} -> {{26466, 36518, 37852}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=79.32, overall=80.55, \
mfg=81.78, Lipid ID=, KEGG ID= ]", ""}}, {601.3378, 12.75722, "Meta"} -> 
    {{2512050, 1814647, 2075641}, 
     {" [ C33 H43 N7 O4, db=0.00, overall=47.97, mfg=95.95 ]", ""}}, 
   {212.1777, 12.752696, "Meta"} -> {{296347, 342396, 340887}, 
     {"3-n-decyl acrylic acid [ C13 H24 O2, db=97.80, overall=98.29, \
mfg=98.78, Lipid ID=LMFA01030044, KEGG ID= ]", ""}}, 
   {274.1955, 12.752801, "Meta"} -> {{37409, 43793, 38088}, 
     {"Nandrolone [ C18 H26 O2, db=60.78, overall=60.83, mfg=60.88, KEGG \
ID=C07254, CAS ID=434-22-0 ]", "434-22-0"}}, {451.27, 12.751922, "Meta"} -> 
    {{143030, 123021, 137229}, 
     {" [ C24 H33 N7 O2, db=0.00, overall=39.18, mfg=78.36 ]", ""}}, 
   {472.1768, 12.765059, "Meta"} -> {{56083, 66382, 60621}, 
     {" [ C22 H32 O9 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {248.1778, 12.763323, "Meta"} -> {{39956, 1, 16059}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=85.75, \
overall=85.75, mfg=85.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.2354, 12.768752, "Meta"} -> {{162015, 169746, 157780}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=84.70, \
overall=84.73, mfg=84.76, Lipid ID=, KEGG ID= ]", ""}}, 
   {741.4942, 12.7718525, "Meta"} -> {{89819, 66347, 71497}, 
     {" [ C36 H63 N13 O2 S, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {292.204, 12.771527, "Meta"} -> {{37858, 44259, 37070}, 
     {"8-hydroxy-9,11-octadecadiynoic acid [ C18 H28 O3, db=85.03, \
overall=85.08, mfg=85.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {272.2353, 12.773695, "Meta"} -> {{334251, 378928, 343847}, 
     {"Juniperic acid [ C16 H32 O3, db=99.56, overall=99.57, mfg=99.58, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {282.1807, 12.778528, "Meta"} -> 
    {{48456, 41819, 42649}, 
     {" [ C12 H22 N6 O2, db=0.00, overall=39.17, mfg=78.33 ]", ""}}, 
   {306.2028, 12.779474, "Meta"} -> {{296907, 240338, 257843}, 
     {" [ C12 H22 N10, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {1121.1787, 12.779182, "Meta"} -> {{21438, 16904, 18485}, 
     {" [ C40 H39 N11 O26 S, db=0.00, overall=30.39, mfg=60.79 ]", ""}}, 
   {200.1772, 12.780029, "Meta"} -> {{2425665, 2216217, 2248226}, 
     {"Lauric acid [ C12 H24 O2, db=99.50, overall=82.77, mfg=99.61, KEGG \
ID=C02679, CAS ID=143-07-7 ]", "143-07-7"}}, {262.1957, 12.779972, "Meta"} -> 
    {{355043, 328077, 310074}, {"5,8-heptadecadiynoic acid [ C17 H26 O2, \
db=76.03, overall=76.16, mfg=76.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {296.1652, 12.779271, "Meta"} -> {{13130, 14101, 11745}, 
     {" [ C17 H20 N4 O, db=0.00, overall=37.32, mfg=74.65 ]", ""}}, 
   {410.2842, 12.789255, "Meta"} -> {{24579, 22947, 21177}, 
     {"24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 / \
24,25-epoxy-1alpha-hydroxy-22,22,23, [ C27 H38 O3, db=55.55, overall=56.01, \
mfg=56.47, Lipid ID=LMST03020093, KEGG ID= ]", ""}}, 
   {348.2662, 12.790111, "Meta"} -> {{38564, 44626, 39614}, 
     {" [ C22 H36 O3, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {693.4941, 12.790001, "Meta"} -> {{78464, 60619, 64044}, 
     {" [ C39 H63 N7 O4, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {312.2301, 12.795386, "Meta"} -> {{1, 96294, 96853}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=65.37, \
overall=65.41, mfg=47.49, Lipid ID=, KEGG ID= ]", ""}}, 
   {911.4975, 12.806728, "Meta"} -> {{178687, 201106, 207138}, 
     {" [ C49 H73 N3 O11 S, db=0.00, overall=48.38, mfg=96.77 ]", ""}}, 
   {284.1177, 12.804969, "Meta"} -> {{94876, 67845, 50155}, 
     {" [ C9 H16 N8 O S, db=0.00, overall=39.38, mfg=78.76 ]", ""}}, 
   {553.3383, 12.815026, "Meta"} -> {{2712173, 2072201, 2362503}, 
     {" [ C22 H43 N13 O2 S, db=0.00, overall=43.77, mfg=87.54 ]", ""}}, 
   {432.3237, 12.808973, "Meta"} -> {{67845, 80090, 68397}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=96.68, overall=97.08, \
mfg=97.47, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {529.2718, 12.815501, "Meta"} -> {{53847, 95744, 80394}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=84.04, overall=84.48, mfg=84.91, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {470.2338, 12.812455, "Meta"} -> {{187029, 227731, 180434}, 
     {" [ C24 H38 O7 S, db=0.00, overall=44.58, mfg=46.73 ]", ""}}, 
   {863.4979, 12.8242, "Meta"} -> {{614040, 631396, 632920}, 
     {" [ C46 H69 N7 O7 S, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {236.1776, 12.817634, "Meta"} -> {{23217, 1, 18757}, 
     {" [ C15 H24 O2, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {635.3408, 12.819117, "Meta"} -> {{152020, 133348, 140602}, 
     {" [ C32 H49 N3 O10, db=0.00, overall=47.10, mfg=94.19 ]", ""}}, 
   {1291.1816, 12.83475, "Meta"} -> {{270146, 284460, 258353}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.48, mfg=88.97 ]", ""}}, 
   {370.1808, 12.834667, "Meta"} -> {{2.18*^7, 2.5*^7, 2.16*^7}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=95.37, \
overall=74.57, mfg=96.64, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {476.2065, 12.836249, "Meta"} -> {{187909, 191631, 169090}, 
     {"2-Methoxyestrone 3-glucuronide [ C25 H32 O9, db=72.64, overall=73.86, \
mfg=75.07, HMP ID=HMDB04482, KEGG ID= ]", ""}}, 
   {490.2249, 12.836001, "Meta"} -> {{727792, 803661, 745665}, 
     {"glimepiride [ C24 H34 N4 O5 S, db=99.55, overall=99.61, mfg=99.67, \
KEGG ID=, CAS ID=93479-97-1 ]", "93479-97-1"}}, 
   {762.344, 12.837029, "Meta"} -> {{50401, 67174, 49719}, 
     {" [ C36 H54 N6 O8 S2, db=0.00, overall=48.49, mfg=96.97 ]", ""}}, 
   {452.1845, 12.837253, "Meta"} -> {{152570, 176371, 162602}, 
     {" [ C19 H28 N6 O5 S, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {520.2141, 12.838638, "Meta"} -> {{25326, 28427, 23046}, 
     {" [ C28 H40 O3 S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {244.2039, 12.838314, "Meta"} -> {{47884, 49124, 50073}, 
     {"2-Hydroxymyristic acid [ C14 H28 O3, db=85.79, overall=85.80, \
mfg=85.82, HMP ID=HMDB02261, KEGG ID= ]", ""}}, 
   {534.1876, 12.8392105, "Meta"} -> {{18665, 25205, 20478}, 
     {" [ C20 H30 N12 S3, db=0.00, overall=45.88, mfg=91.75 ]", ""}}, 
   {510.283, 12.842, "Meta"} -> {{1, 63041, 60022}, 
     {" [ C27 H42 O9, db=0.00, overall=46.03, mfg=92.05 ]", ""}}, 
   {316.261, 12.85597, "Meta"} -> {{1, 68997, 60451}, 
     {"7,8-dihydroxy stearic acid [ C18 H36 O4, db=83.16, overall=83.29, \
mfg=83.41, Lipid ID=LMFA01050088, KEGG ID= ]", ""}}, 
   {398.2135, 12.853864, "Meta"} -> {{35635, 57955, 43519}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=65.38, overall=66.22, \
mfg=67.06, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {416.2234, 12.85794, "Meta"} -> {{47185, 57424, 54338}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=57.35, \
overall=58.00, mfg=58.65, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {559.2878, 12.870376, "Meta"} -> {{27153, 35299, 31912}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=47.40, mfg=94.81 ]", ""}}, 
   {336.2301, 12.877356, "Meta"} -> {{30820, 1, 48512}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=61.40, overall=61.89, mfg=62.37, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {352.2613, 12.869867, "Meta"} -> 
    {{17010, 16870, 17759}, 
     {" [ C21 H36 O4, db=0.00, overall=34.24, mfg=68.48 ]", ""}}, 
   {486.2824, 12.8755665, "Meta"} -> {{18770, 23148, 22769}, 
     {" [ C26 H46 O4 S2, db=0.00, overall=36.01, mfg=72.01 ]", ""}}, 
   {477.2857, 12.875721, "Meta"} -> {{839666, 875435, 943446}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=65.09, overall=58.40, mfg=67.04 ]", 
      ""}}, {448.1414, 12.876863, "Meta"} -> {{151771, 152287, 152986}, 
     {" [ C20 H24 N4 O6 S, db=0.00, overall=44.31, mfg=88.62 ]", ""}}, 
   {248.1779, 12.876777, "Meta"} -> {{25964, 29183, 27019}, 
     {"4,7,10,13-hexadecatetraenoic acid [ C16 H24 O2, db=82.32, \
overall=82.52, mfg=82.72, Lipid ID=, KEGG ID= ]", ""}}, 
   {294.2194, 12.849399, "Meta"} -> {{38479, 48476, 39924}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.71, overall=85.73, \
mfg=85.75, Lipid ID=, KEGG ID= ]", ""}}, {978.5702, 12.88725, "Meta"} -> 
    {{18452, 26086, 23988}, 
     {" [ C56 H82 O14, db=0.00, overall=46.97, mfg=93.93 ]", ""}}, 
   {889.5133, 12.89332, "Meta"} -> {{121717, 81732, 57535}, 
     {" [ C47 H75 N3 O11 S, db=0.00, overall=48.81, mfg=97.63 ]", ""}}, 
   {994.6013, 12.893875, "Meta"} -> {{46497, 50427, 115401}, 
     {" [ C57 H96 Cl2 O5 S2, db=0.00, overall=20.26, mfg=40.52 ]", ""}}, 
   {583.2882, 12.926795, "Meta"} -> {{29510, 36747, 32860}, 
     {" [ C35 H41 N3 O3 S, db=0.00, overall=45.77, mfg=91.53 ]", ""}}, 
   {494.2689, 12.898401, "Meta"} -> {{27009, 29681, 27430}, 
     {" [ C31 H42 O S2, db=0.00, overall=45.84, mfg=91.69 ]", ""}}, 
   {450.2618, 12.897001, "Meta"} -> {{602297, 729023, 620221}, 
     {"Tyr Leu Arg [ C21 H34 N6 O5, db=82.23, overall=82.28, mfg=82.33 ]", 
      ""}}, {1102.6215, 12.908874, "Meta"} -> {{13702, 16579, 16590}, 
     {" [ C59 H86 N6 O14, db=0.00, overall=46.67, mfg=93.35 ]", ""}}, 
   {270.2195, 12.9046335, "Meta"} -> {{51749, 55051, 1}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=86.33, overall=86.34, mfg=86.36, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {556.2887, 12.906091, "Meta"} -> 
    {{48807, 54450, 44636}, 
     {" [ C30 H44 N4 O2 S2, db=0.00, overall=37.95, mfg=75.90 ]", ""}}, 
   {661.3563, 12.920387, "Meta"} -> {{121450, 109313, 116919}, 
     {" [ C26 H55 N5 O12 S, db=0.00, overall=46.67, mfg=93.34 ]", ""}}, 
   {535.9552, 12.905001, "Meta"} -> {{168456, 184723, 175370}, 
     {" [ C22 H10 Cl2 O12, db=0.00, overall=49.24, mfg=98.48 ]", ""}}, 
   {1072.6696, 12.909584, "Meta"} -> {{137513, 107213, 120395}, 
     {" [ C50 H88 N16 O8 S, db=0.00, overall=49.15, mfg=98.31 ]", ""}}, 
   {272.2353, 12.904721, "Meta"} -> {{124440, 153385, 127447}, 
     {"Juniperic acid [ C16 H32 O3, db=99.75, overall=99.75, mfg=99.75, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1020.6173, 12.908292, "Meta"} -> 
    {{288190, 316672, 317042}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=49.46, mfg=98.93 ]", ""}}, 
   {320.2353, 12.908808, "Meta"} -> {{590277, 660218, 629521}, 
     {"(+/-)11,12-EpETrE [ C20 H32 O3, db=99.76, overall=80.32, mfg=99.80, \
KEGG ID=, CAS ID= ]", ""}}, {408.2499, 12.909281, "Meta"} -> 
    {{62864, 62726, 65761}, 
     {" [ C23 H36 O6, db=0.00, overall=42.04, mfg=84.07 ]", ""}}, 
   {364.2426, 12.910054, "Meta"} -> {{90450, 82418, 98509}, 
     {"Quinestrol [ C25 H32 O2, db=70.97, overall=72.22, mfg=73.47, Lipid \
ID=LMST02010037, KEGG ID=C07619 ]", ""}}, {501.2851, 12.910686, "Meta"} -> 
    {{2262919, 2408659, 2579820}, {"Fexofenadine [ C32 H39 N O4, db=77.25, \
overall=73.50, mfg=78.03, KEGG ID=C06999, CAS ID=83799-24-0 ]", 
      "83799-24-0"}}, {1180.6871, 12.946199, "Meta"} -> 
    {{43717, 40547, 40579}, 
     {" [ C54 H100 N8 O18 S, db=0.00, overall=45.15, mfg=47.50 ]", ""}}, 
   {579.3539, 12.923, "Meta"} -> {{4211037, 3527599, 3884526}, 
     {" [ C31 H45 N7 O4, db=0.00, overall=47.34, mfg=94.67 ]", ""}}, 
   {609.3633, 12.921043, "Meta"} -> {{44931, 45322, 42273}, 
     {" [ C40 H51 N O2 S, db=0.00, overall=44.33, mfg=88.66 ]", ""}}, 
   {831.5621, 12.920709, "Meta"} -> {{16169, 19245, 18669}, 
     {" [ C39 H77 N9 O8 S, db=0.00, overall=44.71, mfg=89.43 ]", ""}}, 
   {1563.9479, 12.925625, "Meta"} -> {{64456, 63613, 66848}, {"", ""}}, 
   {344.2352, 12.918083, "Meta"} -> {{47768, 59111, 54005}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=89.38, overall=90.41, mfg=91.44, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {452.314, 12.927064, "Meta"} -> 
    {{31648, 44853, 1}, {"GPCho(O-14:1(1E)/0:0) [ C22 H47 N O6 P, db=60.10, \
overall=30.05, Lipid ID=LMGP01070001, KEGG ID= ]", ""}}, 
   {312.2303, 12.925362, "Meta"} -> {{474827, 551918, 487740}, 
     {"8,13-dihydroxy-9,11-octadecadienoic acid [ C18 H32 O4, db=96.98, \
overall=97.37, mfg=70.15, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 12.927583, "Meta"} -> {{156865, 188322, 170321}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.86, mfg=97.72 ]", ""}}, 
   {356.2383, 12.923416, "Meta"} -> {{41076, 50763, 48281}, 
     {"Estradiol valerate [ C23 H32 O3, db=43.83, overall=45.23, mfg=46.63, \
Lipid ID=LMST02010039, KEGG ID=C12859 ]", ""}}, 
   {426.2092, 12.927001, "Meta"} -> {{42341, 53729, 43081}, 
     {" [ C22 H35 Cl N2 O2 S, overall=35.50, mfg=71.01 ]", ""}}, 
   {1060.669, 12.933335, "Meta"} -> {{138168, 111849, 126485}, 
     {" [ C49 H88 N16 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {525.2856, 12.9335, "Meta"} -> {{1147999, 1224461, 1298636}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.33, mfg=94.66 ]", ""}}, 
   {346.1992, 12.938374, "Meta"} -> {{18609, 21771, 21255}, 
     {"Arg Ala Thr [ C13 H26 N6 O5, db=66.70, overall=67.38, mfg=68.05 ]", 
      ""}}, {240.1727, 12.9381695, "Meta"} -> {{125625, 205273, 122067}, 
     {"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid [ C14 H24 O3, \
db=97.78, overall=83.52, mfg=98.20, Lipid ID=, KEGG ID= ]", ""}}, 
   {1122.685, 12.942958, "Meta"} -> {{515381, 438729, 477854}, 
     {" [ C46 H86 N22 O11, db=0.00, overall=49.36, mfg=98.72 ]", ""}}, 
   {541.3378, 12.945549, "Meta"} -> {{385431, 363528, 356948}, 
     {" [ C28 H43 N7 O4, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {285.2306, 12.94539, "Meta"} -> {{78368, 86636, 79744}, 
     {" [ C16 H31 N O3, db=0.00, overall=46.58, mfg=93.16 ]", ""}}, 
   {1068.6165, 12.9489565, "Meta"} -> {{78268, 83589, 73882}, 
     {" [ C60 H80 N10 O8, db=0.00, overall=48.21, mfg=96.41 ]", ""}}, 
   {1084.669, 12.950793, "Meta"} -> {{68677, 59065, 60069}, 
     {" [ C51 H88 N16 O8 S, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {603.3539, 12.952851, "Meta"} -> {{1954687, 1588386, 1652478}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.52, mfg=95.05 ]", ""}}, 
   {454.3291, 12.963173, "Meta"} -> {{86216, 99958, 105492}, 
     {" [ C30 H46 O S, overall=42.45, mfg=84.89 ]", ""}}, 
   {911.6243, 12.954886, "Meta"} -> {{83776, 100544, 83362}, 
     {" [ C52 H85 N3 O10, db=0.00, overall=48.39, mfg=96.78 ]", ""}}, 
   {224.1778, 12.920645, "Meta"} -> {{17061, 27792, 25219}, 
     {"5Z,8Z-tetradecadienoic acid [ C14 H24 O2, db=82.84, overall=84.02, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {1146.685, 12.957958, "Meta"} -> 
    {{306962, 234742, 266752}, 
     {" [ C51 H94 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {935.6241, 12.96082, "Meta"} -> {{64193, 75275, 64811}, 
     {" [ C47 H85 N9 O8 S, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {474.2959, 12.962767, "Meta"} -> {{1, 24667, 14047}, 
     {" [ C24 H46 N2 O3 S2, db=0.00, overall=37.45, mfg=74.90 ]", ""}}, 
   {498.3183, 12.960117, "Meta"} -> {{78965, 95542, 70348}, 
     {" [ C17 H38 N16 S, db=0.00, overall=46.33, mfg=92.67 ]", ""}}, 
   {685.3563, 12.990667, "Meta"} -> {{48666, 55076, 42770}, 
     {" [ C33 H51 N9 O3 S2, db=0.00, overall=44.34, mfg=88.68 ]", ""}}, 
   {392.2929, 12.964082, "Meta"} -> {{435426, 543978, 424541}, 
     {"(5b,7b,12a)-7,12-dihydroxy-Cholan-24-oic acid [ C24 H40 O4, db=99.50, \
overall=91.89, mfg=99.65, HMP ID=HMDB02451, KEGG ID= ]", ""}}, 
   {627.3535, 12.971885, "Meta"} -> {{428214, 369737, 377184}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=47.90, mfg=95.80 ]", ""}}, 
   {338.2458, 12.989843, "Meta"} -> {{23070, 32804, 1}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=67.19, overall=67.69, mfg=68.19, \
KEGG ID=, CAS ID= ]", ""}}, {559.2887, 12.990411, "Meta"} -> 
    {{25053, 28428, 24763}, 
     {" [ C21 H45 N5 O10 S, db=0.00, overall=46.73, mfg=93.46 ]", ""}}, 
   {250.1933, 12.985091, "Meta"} -> {{31310, 34330, 31343}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=85.15, overall=85.18, \
mfg=85.20, Lipid ID=, KEGG ID= ]", ""}}, {298.2508, 12.9910965, "Meta"} -> 
    {{209390, 257125, 209881}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.37, overall=99.42, mfg=99.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {1044.6171, 13.00207, "Meta"} -> {{216666, 212310, 201033}, 
     {" [ C46 H84 N12 O15, db=0.00, overall=48.98, mfg=97.95 ]", ""}}, 
   {402.2609, 12.9973545, "Meta"} -> {{27283, 27502, 21876}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=60.78, overall=61.67, mfg=62.57 ]", 
      ""}}, {342.2609, 12.993463, "Meta"} -> {{54917, 43946, 1}, 
     {" [ C20 H38 O2 S, db=0.00, overall=38.16, mfg=76.33 ]", ""}}, 
   {978.5701, 12.994884, "Meta"} -> {{56829, 73557, 56784}, 
     {" [ C48 H86 N2 O16 S, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {296.2352, 12.947805, "Meta"} -> {{41435, 41730, 41528}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.62, \
overall=85.64, mfg=85.67, Lipid ID=, KEGG ID= ]", ""}}, 
   {659.3664, 13.001844, "Meta"} -> {{63296, 89487, 72994}, 
     {" [ C30 H63 Cl2 N5 S3, db=0.00, overall=36.84, mfg=73.68 ]", ""}}, 
   {996.6174, 12.999926, "Meta"} -> {{335942, 334540, 324746}, 
     {" [ C42 H84 N12 O15, db=0.00, overall=48.72, mfg=97.45 ]", ""}}, 
   {1563.9467, 13.005319, "Meta"} -> {{116193, 89192, 110110}, {"", ""}}, 
   {1020.6171, 13.006547, "Meta"} -> {{395543, 399534, 369238}, 
     {" [ C44 H84 N12 O15, db=0.00, overall=48.87, mfg=97.74 ]", ""}}, 
   {477.286, 12.997221, "Meta"} -> {{4235794, 3892533, 3923363}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=66.96, overall=60.56, mfg=69.21 ]", 
      ""}}, {524.939, 13.000028, "Meta"} -> {{52441, 60334, 53840}, 
     {" [ C22 H5 Cl2 N3 O9, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {1515.9475, 13.0041275, "Meta"} -> {{87286, 82145, 80200}, {"", ""}}, 
   {1539.9478, 13.007616, "Meta"} -> {{150798, 143839, 136886}, {"", ""}}, 
   {501.2857, 13.016942, "Meta"} -> {{3619110, 3157010, 3416368}, 
     {"Fexofenadine [ C32 H39 N O4, db=77.77, overall=70.49, mfg=78.12, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {1098.6862, 13.042694, "Meta"} -> {{2209806, 2081174, 2006473}, 
     {" [ C45 H82 N26 O7, db=0.00, overall=49.82, mfg=99.64 ]", ""}}, 
   {555.3093, 13.038115, "Meta"} -> {{86396, 83667, 77168}, 
     {" [ C29 H42 Cl N7 O2, db=0.00, overall=49.07, mfg=98.15 ]", ""}}, 
   {745.5253, 13.03691, "Meta"} -> {{33477, 41575, 35881}, 
     {" [ C36 H67 N13 O2 S, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {525.2857, 13.034194, "Meta"} -> {{1960381, 1656351, 1793129}, 
     {" [ C30 H35 N7 O2, db=0.00, overall=47.76, mfg=95.52 ]", ""}}, 
   {529.1848, 13.039088, "Meta"} -> {{1, 70900, 79935}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=66.53, \
overall=67.64, mfg=68.74, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {579.3529, 13.048807, "Meta"} -> {{9482261, 8823520, 8568392}, 
     {" [ C30 H49 N3 O8, db=0.00, overall=47.36, mfg=94.71 ]", ""}}, 
   {609.3641, 13.051372, "Meta"} -> {{1, 59872, 48838}, 
     {" [ C32 H47 N7 O5, db=0.00, overall=45.54, mfg=91.08 ]", ""}}, 
   {226.1936, 13.035972, "Meta"} -> {{804154, 972640, 822180}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=98.98, overall=87.95, \
mfg=99.23, KEGG ID=, CAS ID= ]", ""}}, {288.2115, 13.037751, "Meta"} -> 
    {{105809, 129114, 99428}, {"19-Oxotestosterone [ C19 H28 O2, db=75.26, \
overall=75.25, mfg=75.25, HMP ID=HMDB03959, KEGG ID= ]", ""}}, 
   {548.3922, 13.042073, "Meta"} -> {{35349, 25015, 24099}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=41.70, mfg=83.41 ]", ""}}, 
   {362.267, 13.0413065, "Meta"} -> {{153491, 144488, 151617}, 
     {" [ C19 H38 O6, db=0.00, overall=49.33, mfg=98.66 ]", ""}}, 
   {332.2186, 13.038675, "Meta"} -> {{161307, 186381, 158534}, 
     {" [ C14 H24 N10, db=0.00, overall=46.86, mfg=93.73 ]", ""}}, 
   {505.3165, 13.047893, "Meta"} -> {{107130, 101001, 1}, 
     {" [ C28 H39 N7 O2, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {294.1655, 13.049499, "Meta"} -> {{100481, 152867, 68980}, 
     {" [ C17 H26 O2 S, db=0.00, overall=49.54, mfg=99.08 ]", ""}}, 
   {769.5257, 13.054751, "Meta"} -> {{1, 1, 1}, 
     {" [ C45 H67 N7 O4, db=0.00, overall=46.08, mfg=92.17 ]", ""}}, 
   {1122.6855, 13.059266, "Meta"} -> {{1414807, 1292531, 1242809}, 
     {" [ C47 H82 N26 O7, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {214.1932, 13.051515, "Meta"} -> {{103251, 90513, 81123}, 
     {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, db=98.10, overall=98.17, \
mfg=49.25, KEGG ID=, CAS ID= ]", ""}}, {603.3541, 13.0665, "Meta"} -> 
    {{3284617, 3016453, 2951773}, 
     {" [ C33 H45 N7 O4, db=0.00, overall=47.44, mfg=94.87 ]", ""}}, 
   {453.2857, 13.060666, "Meta"} -> {{403359, 401311, 416594}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=98.59, overall=49.30, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {917.5442, 13.064721, "Meta"} -> 
    {{43991, 57240, 44193}, 
     {" [ C49 H79 N3 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {941.544, 13.069555, "Meta"} -> {{18784, 20371, 17067}, 
     {" [ C51 H79 N3 O11 S, db=0.00, overall=45.22, mfg=90.44 ]", ""}}, 
   {1319.2136, 13.068722, "Meta"} -> {{63707, 70410, 58358}, 
     {" [ C45 H37 N21 O28, db=0.00, overall=45.06, mfg=90.13 ]", ""}}, 
   {1170.6846, 13.075884, "Meta"} -> {{148029, 119537, 122430}, 
     {" [ C58 H90 N16 O8 S, overall=49.09, mfg=98.17 ]", ""}}, 
   {398.2129, 13.07364, "Meta"} -> {{1071426, 1352530, 968886}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=98.47, overall=98.59, \
mfg=98.72, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {627.3535, 13.084666, "Meta"} -> {{973182, 770015, 791920}, 
     {" [ C35 H45 N7 O4, db=0.00, overall=48.05, mfg=96.10 ]", ""}}, 
   {250.1933, 13.09731, "Meta"} -> {{126388, 146048, 123259}, 
     {"6,9,12-hexadecatrienoic acid [ C16 H26 O2, db=98.26, overall=98.49, \
mfg=98.72, Lipid ID=, KEGG ID= ]", ""}}, {298.2509, 13.092115, "Meta"} -> 
    {{455972, 490820, 447473}, {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 \
O3, db=99.50, overall=99.51, mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, 
   {372.1971, 13.092972, "Meta"} -> {{271248, 289330, 221862}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.87, overall=66.08, \
mfg=67.29, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {527.301, 13.096311, "Meta"} -> {{322594, 296170, 375534}, 
     {" [ C23 H37 N13 S, db=0.00, overall=43.75, mfg=87.50 ]", ""}}, 
   {342.2583, 13.095028, "Meta"} -> {{59308, 73580, 80344}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {322.2507, 13.106, "Meta"} -> {{22190, 19972, 1}, 
     {"5(S)-HETrE [ C20 H34 O3, db=80.66, overall=81.14, mfg=81.63, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {555.3537, 13.122594, "Meta"} -> 
    {{3242164, 3550602, 3344892}, 
     {" [ C22 H45 N13 O2 S, db=0.00, overall=46.96, mfg=93.91 ]", ""}}, 
   {1594.0157, 13.114481, "Meta"} -> {{307309, 295930, 272230}, {"", ""}}, 
   {555.4619, 13.176457, "Meta"} -> {{66471, 449161, 372686}, 
     {" [ C22 H53 N17, db=0.00, overall=25.98, mfg=51.97 ]", ""}}, 
   {294.2196, 13.10589, "Meta"} -> {{47953, 63264, 55358}, 
     {"12-oxo-9-octadecynoic acid [ C18 H30 O3, db=85.85, overall=85.87, \
mfg=85.88, Lipid ID=, KEGG ID= ]", ""}}, {1050.6855, 13.122406, "Meta"} -> 
    {{456044, 571590, 482477}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.34, mfg=98.69 ]", ""}}, 
   {1074.6853, 13.118668, "Meta"} -> {{883326, 844550, 829738}, 
     {" [ C45 H94 N12 O17, db=0.00, overall=49.51, mfg=99.02 ]", ""}}, 
   {1570.0153, 13.11925, "Meta"} -> {{204487, 261912, 236029}, {"", ""}}, 
   {567.3533, 13.130962, "Meta"} -> {{96679, 85401, 89989}, 
     {" [ C30 H45 N7 O4, db=0.00, overall=45.30, mfg=90.60 ]", ""}}, 
   {503.3021, 13.126161, "Meta"} -> {{126742, 138893, 150289}, 
     {" [ C25 H49 N3 O S3, db=0.00, overall=40.89, mfg=81.78 ]", ""}}, 
   {346.2504, 13.117782, "Meta"} -> {{88055, 30982, 9333}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=61.56, \
overall=30.78, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {499.937, 13.124389, "Meta"} -> {{1, 324248, 267562}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.89, mfg=77.79 ]", ""}}, 
   {296.2353, 13.126834, "Meta"} -> {{203983, 229928, 223453}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.96, \
overall=85.97, mfg=85.98, Lipid ID=, KEGG ID= ]", ""}}, 
   {410.2501, 13.123169, "Meta"} -> {{1, 28122, 20396}, 
     {" [ C25 H40 Cl2, db=0.00, overall=32.56, mfg=65.12 ]", ""}}, 
   {402.2606, 13.13136, "Meta"} -> {{1, 1, 1}, 
     {"Gln Lys Lys [ C17 H34 N6 O5, db=54.45, overall=56.22, mfg=58.00 ]", 
      ""}}, {454.3288, 13.130362, "Meta"} -> {{72025, 105689, 70099}, 
     {" [ C26 H46 O6, overall=47.82, mfg=44.73 ]", ""}}, 
   {472.2494, 13.129259, "Meta"} -> {{49849, 69123, 1}, 
     {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, db=93.28, overall=93.38, \
mfg=47.21, KEGG ID=, CAS ID=128012-96-4 ]", "128012-96-4"}}, 
   {515.2914, 13.1338415, "Meta"} -> {{53424, 59495, 52030}, 
     {"Taurallocholic acid [ C26 H45 N O7 S, db=89.64, overall=89.81, \
mfg=89.99, HMP ID=HMDB00922, KEGG ID= ]", ""}}, 
   {428.2235, 13.127536, "Meta"} -> {{1, 1, 44784}, 
     {" [ C23 H40 O S3, db=0.00, overall=42.60, mfg=85.20 ]", ""}}, 
   {270.2194, 13.139775, "Meta"} -> {{1, 71674, 53107}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=78.21, overall=78.25, mfg=78.29, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {214.1933, 13.146692, "Meta"} -> 
    {{108855, 116870, 107607}, {"2,6-dimethyl-undecanoic acid [ C13 H26 O2, \
db=99.56, overall=99.57, mfg=99.58, KEGG ID=, CAS ID= ]", ""}}, 
   {276.2109, 13.133319, "Meta"} -> {{10658, 1, 12485}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=72.92, overall=72.98, \
mfg=73.05, Lipid ID=, KEGG ID= ]", ""}}, {661.3566, 13.116879, "Meta"} -> 
    {{35354, 55680, 45344}, 
     {" [ C31 H51 N9 O3 S2, db=0.00, overall=43.26, mfg=86.52 ]", ""}}, 
   {629.3682, 13.153105, "Meta"} -> {{174117, 167332, 145540}, 
     {" [ C34 H51 N3 O8, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {637.3565, 13.14903, "Meta"} -> {{61421, 83452, 68435}, 
     {" [ C22 H51 N15 O S3, db=0.00, overall=41.26, mfg=82.51 ]", ""}}, 
   {362.2673, 13.1566305, "Meta"} -> {{1437889, 1217453, 1212409}, 
     {" [ C19 H38 O6, db=0.00, overall=49.65, mfg=99.30 ]", ""}}, 
   {612.4777, 13.156419, "Meta"} -> {{318370, 238354, 250843}, 
     {"1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol [ C39 H64 O5, \
db=85.45, overall=85.76, mfg=86.08, KEGG ID=, CAS ID= ]", ""}}, 
   {565.3734, 13.1695595, "Meta"} -> {{14842, 16664, 14647}, 
     {" [ C31 H55 N3 O2 S2, overall=35.23, mfg=70.46 ]", ""}}, 
   {1148.6993, 13.162751, "Meta"} -> {{89668, 62072, 75720}, 
     {" [ C52 H89 Cl N24 O2 S, db=0.00, overall=35.18, mfg=70.36 ]", ""}}, 
   {338.2234, 13.160125, "Meta"} -> {{151315, 146585, 135281}, 
     {" [ C18 H31 Cl N4, db=0.00, overall=44.03, mfg=88.05 ]", ""}}, 
   {492.2932, 13.160081, "Meta"} -> {{34579, 39319, 35829}, 
     {" [ C25 H48 O5 S2, db=0.00, overall=43.31, mfg=86.61 ]", ""}}, 
   {416.2574, 13.161083, "Meta"} -> {{93509, 102452, 89234}, 
     {"6'-Exomethylenesimvastatin [ C25 H36 O5, db=72.07, overall=73.51, \
mfg=74.96, KEGG ID=, CAS ID=121624-18-8 ]", "121624-18-8"}}, 
   {687.3719, 13.22203, "Meta"} -> {{16864, 12728, 12175}, 
     {" [ C40 H53 N3 O5 S, db=0.00, overall=46.21, mfg=92.43 ]", ""}}, 
   {488.3342, 13.167659, "Meta"} -> {{50637, 62608, 52077}, 
     {" [ C26 H48 O8, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {470.2337, 13.16961, "Meta"} -> {{104298, 130309, 102277}, 
     {" [ C25 H42 O2 S3, db=0.00, overall=41.68, mfg=83.35 ]", ""}}, 
   {996.6172, 13.1726675, "Meta"} -> {{38062, 38797, 32663}, 
     {" [ C40 H72 N26 O5, db=0.00, overall=30.20, mfg=60.41 ]", ""}}, 
   {972.6174, 13.174584, "Meta"} -> {{114575, 115081, 98682}, 
     {" [ C55 H88 O14, db=0.00, overall=48.19, mfg=96.37 ]", ""}}, 
   {535.2884, 13.178231, "Meta"} -> {{21916, 28638, 22858}, 
     {" [ C39 H37 N O, db=0.00, overall=45.02, mfg=90.05 ]", ""}}, 
   {238.1934, 13.17232, "Meta"} -> {{17270, 19570, 15222}, 
     {"3-pentadecynoic acid [ C15 H26 O2, db=79.27, overall=79.45, mfg=79.63, \
Lipid ID=, KEGG ID= ]", ""}}, {1491.9482, 13.177334, "Meta"} -> 
    {{57705, 55724, 60341}, 
     {" [ C59 H19 Cl3 N22 O16 S3, db=0.00, overall=28.26, mfg=56.52 ]", ""}}, 
   {258.2195, 13.184973, "Meta"} -> {{54681, 76831, 66984}, 
     {"15-hydroxy-pentadecanoic acid [ C15 H30 O3, db=85.82, overall=85.86, \
mfg=85.91, Lipid ID=, KEGG ID= ]", ""}}, {1467.9478, 13.178375, "Meta"} -> 
    {{46337, 47893, 44770}, 
     {" [ C57 H16 N16 O28 S3, db=0.00, overall=44.08, mfg=88.16 ]", ""}}, 
   {300.2092, 13.183361, "Meta"} -> {{100394, 69561, 63400}, 
     {"Isotretinoin [ C20 H28 O2, db=88.73, overall=89.67, mfg=90.62, KEGG \
ID=C07058, CAS ID=4759-48-2 ]", "4759-48-2"}}, 
   {406.2353, 13.185863, "Meta"} -> {{35113, 31399, 24838}, 
     {" [ C24 H38 O S2, db=0.00, overall=40.60, mfg=81.21 ]", ""}}, 
   {948.6174, 13.187771, "Meta"} -> {{305719, 327670, 306469}, 
     {" [ C38 H84 N12 O15, db=0.00, overall=49.21, mfg=98.41 ]", ""}}, 
   {1132.6877, 13.21438, "Meta"} -> {{1, 15385, 12257}, 
     {" [ C58 H104 N2 O15 S2, db=0.00, overall=47.54, mfg=95.09 ]", ""}}, 
   {453.2856, 13.186444, "Meta"} -> {{3718198, 3689084, 3900425}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=99.28, overall=49.64, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {1443.9489, 13.192208, "Meta"} -> 
    {{88135, 98479, 88462}, 
     {" [ C55 H16 N16 O28 S3, db=0.00, overall=39.67, mfg=79.35 ]", ""}}, 
   {527.3014, 13.202704, "Meta"} -> {{404608, 349289, 410264}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=48.22, mfg=96.44 ]", ""}}, 
   {1546.0175, 13.233225, "Meta"} -> {{1682448, 1677650, 1518014}, {"", ""}}, 
   {479.3015, 13.22394, "Meta"} -> {{527771, 516295, 618828}, 
     {" [ C23 H49 N3 O S3, overall=37.39, mfg=74.78 ]", ""}}, 
   {1050.6865, 13.238721, "Meta"} -> {{3657387, 3653916, 3317819}, 
     {" [ C43 H94 N12 O17, db=0.00, overall=49.70, mfg=99.39 ]", ""}}, 
   {585.3635, 13.236122, "Meta"} -> {{83211, 103003, 87637}, 
     {" [ C38 H51 N O2 S, db=0.00, overall=47.40, mfg=94.80 ]", ""}}, 
   {555.3524, 13.244556, "Meta"} -> {{1.33*^7, 1.31*^7, 1.26*^7}, 
     {" [ C28 H49 N3 O8, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {503.3011, 13.235344, "Meta"} -> {{457200, 410039, 453862}, 
     {" [ C28 H37 N7 O2, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {804.543, 13.246247, "Meta"} -> {{32182, 33050, 32187}, 
     {" [ C44 H76 N4 O7 S, db=0.00, overall=47.41, mfg=94.81 ]", ""}}, 
   {432.324, 13.248167, "Meta"} -> {{259126, 275516, 226392}, 
     {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=98.85, overall=98.87, \
mfg=98.88, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {382.2209, 13.255223, "Meta"} -> {{361413, 301111, 269373}, 
     {" [ C18 H38 O4 S2, db=0.00, overall=39.62, mfg=79.24 ]", ""}}, 
   {367.2724, 13.25471, "Meta"} -> {{21444, 24037, 31611}, 
     {" [ C14 H37 N7 O2 S, db=0.00, overall=32.65, mfg=65.29 ]", ""}}, 
   {226.1934, 13.256857, "Meta"} -> {{48278, 57177, 51254}, 
     {"5-methyl-2E-tridecenoic acid [ C14 H26 O2, db=81.95, overall=82.08, \
mfg=82.20, KEGG ID=, CAS ID= ]", ""}}, {538.349, 13.25247, "Meta"} -> 
    {{54407, 1, 54428}, {"GPCho(16:0/2:0[U]) [ C26 H53 N O8 P, db=98.67, \
overall=49.34, Lipid ID=LMGP01010614, KEGG ID= ]", ""}}, 
   {629.3689, 13.26414, "Meta"} -> {{199921, 157179, 150594}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.89, mfg=97.77 ]", ""}}, 
   {865.5132, 13.259998, "Meta"} -> {{53847, 65399, 53218}, 
     {" [ C45 H75 N3 O11 S, db=0.00, overall=47.31, mfg=94.62 ]", ""}}, 
   {848.5703, 13.266444, "Meta"} -> {{33057, 37618, 35724}, 
     {" [ C41 H84 O17, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {461.2907, 13.250083, "Meta"} -> {{33312, 36707, 60558}, 
     {" [ C26 H43 N3 S2, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {294.2193, 13.249885, "Meta"} -> {{1, 1, 1}, {"12-oxo-9-octadecynoic acid \
[ C18 H30 O3, db=84.02, overall=84.06, mfg=84.10, Lipid ID=, KEGG ID= ]", 
      ""}}, {1572.0306, 13.272583, "Meta"} -> {{133081, 146350, 129836}, 
     {"", ""}}, {272.2352, 13.270832, "Meta"} -> {{67306, 74400, 70285}, 
     {"Juniperic acid [ C16 H32 O3, db=98.78, overall=98.80, mfg=98.81, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {1291.1812, 13.267562, "Meta"} -> 
    {{25459, 27418, 23066}, 
     {" [ C43 H33 N21 O28, db=0.00, overall=44.44, mfg=88.87 ]", ""}}, 
   {370.1814, 13.270889, "Meta"} -> {{513461, 525811, 412987}, 
     {"5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=98.09, \
overall=98.41, mfg=98.72, KEGG ID=, CAS ID=977-36-6 ]", "977-36-6"}}, 
   {412.2824, 13.278153, "Meta"} -> {{246963, 179578, 233426}, 
     {" [ C23 H40 O6, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {892.5953, 13.285168, "Meta"} -> {{24454, 27695, 23207}, 
     {" [ C47 H88 O13 S, db=0.00, overall=44.55, mfg=89.11 ]", ""}}, 
   {384.2996, 13.288458, "Meta"} -> {{46012, 50118, 49158}, 
     {" [ C21 H40 N2 O4, db=0.00, overall=39.65, mfg=79.30 ]", ""}}, 
   {1596.0319, 13.288608, "Meta"} -> {{443089, 390753, 388881}, {"", ""}}, 
   {1100.7009, 13.297847, "Meta"} -> {{822836, 834299, 849600}, 
     {" [ C47 H96 N12 O17, db=0.00, overall=49.41, mfg=98.82 ]", ""}}, 
   {527.3008, 13.297693, "Meta"} -> {{145220, 112839, 147663}, 
     {" [ C30 H37 N7 O2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {276.209, 13.281085, "Meta"} -> {{82217, 86851, 83552}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=98.13, overall=98.34, \
mfg=98.55, Lipid ID=, KEGG ID= ]", ""}}, {605.3695, 13.306194, "Meta"} -> 
    {{2444263, 2172316, 2237700}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.27, mfg=96.55 ]", ""}}, 
   {1150.716, 13.306853, "Meta"} -> {{280614, 217834, 242959}, 
     {" [ C50 H102 N8 O21, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {296.2352, 13.310295, "Meta"} -> {{74409, 87282, 78733}, 
     {"13R-hydroxy-9E,11Z-octadecadienoic acid [ C18 H32 O3, db=85.88, \
overall=85.91, mfg=85.94, Lipid ID=, KEGG ID= ]", ""}}, 
   {358.2347, 13.315668, "Meta"} -> {{35058, 44742, 53818}, 
     {"Leu Ala Arg [ C15 H30 N6 O4, db=43.20, overall=43.50, mfg=43.80 ]", 
      ""}}, {396.1971, 13.308445, "Meta"} -> {{227488, 244124, 190383}, 
     {"Pregnenolone sulfate [ C21 H32 O5 S, db=91.48, overall=92.70, \
mfg=93.92, Lipid ID=LMST05020009, KEGG ID= ]", ""}}, 
   {252.209, 13.316626, "Meta"} -> {{177248, 188931, 164550}, 
     {"2E,4E-hexadecadienoic acid [ C16 H28 O2, db=94.26, overall=95.34, \
mfg=96.43, Lipid ID=, KEGG ID= ]", ""}}, {1124.7003, 13.312853, "Meta"} -> 
    {{58691, 1, 51403}, 
     {" [ C59 H80 N24, db=0.00, overall=44.45, mfg=47.56 ]", ""}}, 
   {464.3137, 13.325612, "Meta"} -> {{88092, 104895, 89681}, 
     {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic \
acid [ C27 H44 O6, db=90.17, overall=91.05, mfg=91.92, Lipid ID=, KEGG ID= ]"\
, ""}}, {1570.0013, 13.313081, "Meta"} -> {{27608, 19096, 30247}, {"", ""}}, 
   {314.2453, 13.328058, "Meta"} -> {{44389, 50482, 33829}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=92.02, overall=91.17, mfg=47.35, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {300.2665, 13.32761, "Meta"} -> 
    {{421914, 458710, 412785}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=99.89, overall=99.91, mfg=99.93, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {404.2761, 13.32961, "Meta"} -> {{62376, 56029, 49255}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=44.23, mfg=88.47 ]", ""}}, 
   {298.2509, 13.329026, "Meta"} -> {{254792, 274207, 241111}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=85.77, overall=85.79, \
mfg=85.81, Lipid ID=, KEGG ID= ]", ""}}, {344.2737, 13.32772, "Meta"} -> 
    {{48895, 47982, 43057}, {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 \
/ (22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=65.44, \
overall=66.66, mfg=67.89, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {637.3564, 13.3032, "Meta"} -> {{53533, 55161, 43808}, 
     {" [ C32 H51 N3 O10, db=0.00, overall=45.04, mfg=90.09 ]", ""}}, 
   {1469.9648, 13.332124, "Meta"} -> {{58318, 64387, 57993}, 
     {" [ C57 H18 N16 O28 S3, db=0.00, overall=39.29, mfg=78.59 ]", ""}}, 
   {340.2613, 13.335182, "Meta"} -> {{28291, 46581, 36459}, 
     {"PGE1 alcohol [ C20 H36 O4, db=70.46, overall=71.20, mfg=71.95, Lipid \
ID=LMFA03010053, KEGG ID= ]", ""}}, {1024.6486, 13.333152, "Meta"} -> 
    {{123856, 126420, 118816}, 
     {" [ C52 H92 N6 O12 S, db=0.00, overall=49.09, mfg=45.94 ]", ""}}, 
   {974.6329, 13.33418, "Meta"} -> {{194630, 226844, 189280}, 
     {" [ C55 H90 O14, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {300.23, 13.334372, "Meta"} -> {{33805, 28214, 30765}, 
     {"4-methyl-hexadecanedioic acid [ C17 H32 O4, db=58.56, overall=29.28, \
Lipid ID=, KEGG ID= ]", ""}}, {388.2823, 13.333186, "Meta"} -> 
    {{625736, 498698, 532479}, 
     {" [ C21 H40 O6, db=0.00, overall=47.45, mfg=94.90 ]", ""}}, 
   {1519.9785, 13.33596, "Meta"} -> {{76463, 79812, 68948}, {"", ""}}, 
   {400.2285, 13.339725, "Meta"} -> {{138897, 167795, 136461}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=69.24, \
overall=69.31, mfg=69.39, Lipid ID=, KEGG ID= ]", ""}}, 
   {479.3014, 13.33736, "Meta"} -> {{3303539, 3229998, 3364711}, 
     {"GPEtn(18:1(9Z)/0:0) [ C23 H46 N O7 P, db=96.87, overall=48.43, Lipid \
ID=LMGP02050004, KEGG ID= ]", ""}}, {561.3042, 13.338822, "Meta"} -> 
    {{16936, 19145, 15739}, 
     {" [ C26 H35 N13 O2, db=0.00, overall=35.23, mfg=70.46 ]", ""}}, 
   {629.3689, 13.353259, "Meta"} -> {{162379, 136857, 155202}, 
     {" [ C35 H47 N7 O4, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {474.3148, 13.343833, "Meta"} -> {{31415, 37693, 27420}, 
     {"1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetr\
adehydro-24,25,26,27-tetranorv [ C32 H42 O3, db=63.25, overall=64.25, \
mfg=65.24, Lipid ID=LMST03020510, KEGG ID= ]", ""}}, 
   {240.2089, 13.34425, "Meta"} -> {{104973, 120954, 70113}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=70.65, overall=70.66, mfg=47.54, \
Lipid ID=, KEGG ID= ]", ""}}, {430.308, 13.346362, "Meta"} -> 
    {{199094, 267894, 227580}, {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=63.87, \
overall=64.12, mfg=64.37, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {518.3229, 13.345807, "Meta"} -> {{62137, 75028, 100406}, 
     {"Cucurbitacin O [ C30 H46 O7, db=44.88, overall=48.08, mfg=51.29, Lipid \
ID=LMST01010113, KEGG ID=C08803 ]", ""}}, {550.3512, 13.34648, "Meta"} -> 
    {{28293, 23177, 22197}, 
     {" [ C31 H51 Cl N2 O4, overall=36.49, mfg=72.97 ]", ""}}, 
   {492.3272, 13.347747, "Meta"} -> {{130269, 163983, 137022}, 
     {"heptylene-bis(tacrine) [ C33 H40 N4, db=43.59, overall=41.07, \
mfg=38.56, KEGG ID=, CAS ID= ]", ""}}, {428.2233, 13.3463335, "Meta"} -> 
    {{86310, 113371, 84316}, 
     {" [ C22 H36 O6 S, db=0.00, overall=48.64, mfg=40.89 ]", ""}}, 
   {348.2661, 13.347844, "Meta"} -> {{9788, 17790, 1}, 
     {" [ C22 H36 O3, db=0.00, overall=44.01, mfg=88.03 ]", ""}}, 
   {1000.649, 13.354377, "Meta"} -> {{141232, 149455, 104861}, 
     {" [ C57 H92 O14, db=0.00, overall=48.82, mfg=97.63 ]", ""}}, 
   {418.2929, 13.354875, "Meta"} -> {{95637, 1, 115326}, 
     {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=80.09, \
overall=81.59, mfg=83.09, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {1076.7007, 13.356451, "Meta"} -> {{343840, 515639, 489775}, 
     {" [ C50 H92 N16 O8 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {499.9369, 13.351916, "Meta"} -> {{454808, 498927, 472533}, 
     {" [ C18 H4 N4 O10 S2, db=0.00, overall=38.36, mfg=76.73 ]", ""}}, 
   {346.2504, 13.347702, "Meta"} -> {{40416, 30336, 1}, 
     {"Pregn-4-en-20-one, 3b,17-dihydroxy-6a-methyl- [ C22 H34 O3, db=52.77, \
overall=54.93, mfg=57.10, KEGG ID=, CAS ID=18761-73-4 ]", "18761-73-4"}}, 
   {529.3171, 13.352666, "Meta"} -> {{78786, 87793, 81402}, 
     {" [ C22 H51 N5 O3 S3, db=0.00, overall=41.61, mfg=83.21 ]", ""}}, 
   {1126.7155, 13.39924, "Meta"} -> {{45038, 193224, 47140}, 
     {" [ C56 H106 N2 O18 S, db=0.00, overall=49.56, mfg=99.12 ]", ""}}, 
   {1598.0468, 13.373582, "Meta"} -> {{241740, 246373, 234829}, {"", ""}}, 
   {322.2506, 13.368441, "Meta"} -> {{21112, 1, 1}, 
     {"5(S)-HETrE [ C20 H34 O3, db=63.59, overall=63.66, mfg=63.74, Lipid \
ID=LMFA03050005, KEGG ID= ]", ""}}, {1102.7173, 13.399426, "Meta"} -> 
    {{3164498, 2740439, 2812360}, 
     {" [ C47 H98 N12 O17, db=0.00, overall=49.71, mfg=99.42 ]", ""}}, 
   {581.3682, 13.402943, "Meta"} -> {{1.16*^7, 1.08*^7, 1.08*^7}, 
     {" [ C30 H51 N3 O8, db=0.00, overall=47.39, mfg=94.79 ]", ""}}, 
   {611.3793, 13.405147, "Meta"} -> {{96144, 95470, 76024}, 
     {" [ C32 H49 N7 O5, db=0.00, overall=47.91, mfg=95.82 ]", ""}}, 
   {434.339, 13.405806, "Meta"} -> {{43344, 40112, 38950}, 
     {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid [ C27 H46 O4, \
db=75.62, overall=75.84, mfg=76.06, Lipid ID=, KEGG ID= ]", ""}}, 
   {1184.7188, 13.412929, "Meta"} -> {{102895, 93232, 1}, 
     {" [ C54 H104 N8 O18 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {343.2724, 13.420601, "Meta"} -> {{121525, 141298, 140825}, 
     {"Dodecanoylcarnitine [ C19 H37 N O4, db=81.31, overall=82.03, \
mfg=82.76, HMP ID=HMDB02250, KEGG ID= ]", ""}}, 
   {276.2088, 13.420844, "Meta"} -> {{1, 23805, 20032}, 
     {"3,6-octadecadiynoic acid [ C18 H28 O2, db=66.97, overall=67.01, \
mfg=67.04, Lipid ID=, KEGG ID= ]", ""}}, {463.9697, 13.419772, "Meta"} -> 
    {{69295, 69699, 64468}, 
     {" [ C14 H8 O18, db=0.00, overall=37.80, mfg=75.61 ]", ""}}, 
   {437.2909, 13.429609, "Meta"} -> {{1183490, 1172193, 1473341}, 
     {" [ C24 H35 N7 O, db=0.00, overall=46.84, mfg=93.68 ]", ""}}, 
   {1479.9846, 13.431815, "Meta"} -> {{66038, 69676, 75305}, 
     {" [ C59 H20 N16 O27 S3, db=0.00, overall=43.81, mfg=87.61 ]", ""}}, 
   {958.6382, 13.432305, "Meta"} -> {{156549, 157522, 181531}, 
     {" [ C40 H86 N12 O14, db=0.00, overall=48.01, mfg=96.02 ]", ""}}, 
   {469.3161, 13.436149, "Meta"} -> {{55076, 57890, 1}, 
     {" [ C25 H39 N7 O2, db=0.00, overall=48.02, mfg=96.05 ]", ""}}, 
   {366.277, 13.436501, "Meta"} -> {{228924, 305882, 195526}, 
     {" [ C22 H38 O4, db=0.00, overall=49.51, mfg=47.45 ]", ""}}, 
   {404.2755, 13.438514, "Meta"} -> {{79705, 86936, 90744}, 
     {" [ C18 H40 N6 S2, db=0.00, overall=46.95, mfg=93.90 ]", ""}}, 
   {414.2978, 13.440408, "Meta"} -> {{330715, 285544, 325494}, 
     {" [ C23 H42 O6, db=0.00, overall=48.58, mfg=97.15 ]", ""}}, 
   {508.2308, 13.442083, "Meta"} -> {{34120, 40475, 31418}, 
     {" [ C26 H36 O10, db=0.00, overall=48.73, mfg=97.46 ]", ""}}, 
   {298.251, 13.44614, "Meta"} -> {{410801, 484814, 439979}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=61.78, overall=61.45, \
mfg=61.11, Lipid ID=, KEGG ID= ]", ""}}, {582.4858, 13.446786, "Meta"} -> 
    {{247538, 212863, 243179}, 
     {" [ C35 H66 O6, db=0.00, overall=49.41, mfg=98.83 ]", ""}}, 
   {544.4701, 13.451083, "Meta"} -> {{222914, 201285, 196442}, 
     {" [ C32 H64 O6, db=0.00, overall=49.80, mfg=99.59 ]", ""}}, 
   {1270.904, 13.450963, "Meta"} -> {{153725, 156456, 137800}, 
     {" [ C56 H114 N22 O11, db=0.00, overall=48.97, mfg=97.94 ]", ""}}, 
   {529.3166, 13.452239, "Meta"} -> {{173044, 172798, 163880}, 
     {" [ C30 H39 N7 O2, db=0.00, overall=47.28, mfg=94.56 ]", ""}}, 
   {467.3006, 13.453958, "Meta"} -> {{111636, 131421, 135655}, 
     {"Buprenorphine [ C29 H41 N O4, db=56.11, overall=57.02, mfg=57.93, KEGG \
ID=C08007, CAS ID=52485-79-7 ]", "52485-79-7"}}, 
   {749.557, 13.453529, "Meta"} -> {{449186, 462341, 404694}, 
     {" [ C43 H71 N7 O4, db=0.00, overall=48.64, mfg=97.27 ]", ""}}, 
   {338.213, 13.458944, "Meta"} -> {{48926, 34045, 32216}, 
     {"Lisuride [ C20 H26 N4 O, db=51.03, overall=52.02, mfg=53.02, KEGG ID=, \
CAS ID=18016-80-3 ]", "18016-80-3"}}, {1244.8875, 13.45604, "Meta"} -> 
    {{28432, 30458, 28418}, 
     {" [ C55 H116 N22 O6 S2, db=0.00, overall=46.78, mfg=93.55 ]", ""}}, 
   {1149.2096, 13.4571705, "Meta"} -> {{77291, 73407, 76340}, 
     {" [ C41 H47 N7 O30 S, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {416.2237, 13.451212, "Meta"} -> {{48674, 55080, 44106}, 
     {"16a-Hydroxyprednisolone 16,17-acetonide [ C24 H32 O6, db=45.38, \
overall=45.55, mfg=45.72, KEGG ID=, CAS ID=638-94-8 ]", "638-94-8"}}, 
   {228.2084, 13.457583, "Meta"} -> {{8591251, 9027146, 8364254}, 
     {"4,8-dimethyl-dodecanoic acid [ C14 H28 O2, db=97.57, overall=98.73, \
mfg=98.28, KEGG ID=, CAS ID= ]", ""}}, {723.5407, 13.457248, "Meta"} -> 
    {{49296, 52647, 44305}, 
     {" [ C41 H69 N7 O4, db=0.00, overall=48.54, mfg=97.07 ]", ""}}, 
   {290.2271, 13.45814, "Meta"} -> {{1317665, 1396414, 1241107}, 
     {"Androsterone [ C19 H30 O2, db=77.82, overall=77.93, mfg=78.04, KEGG \
ID=C00523, CAS ID=53-41-8 ]", "53-41-8"}}, {318.2231, 13.460202, "Meta"} -> 
    {{18458, 23187, 19135}, 
     {" [ C17 H34 O3 S, db=0.00, overall=31.27, mfg=62.54 ]", ""}}, 
   {831.5597, 13.457517, "Meta"} -> {{19312, 20262, 17205}, 
     {" [ C46 H77 N3 O10, db=0.00, overall=46.32, mfg=92.65 ]", ""}}, 
   {478.3996, 13.458725, "Meta"} -> {{46522, 47726, 45385}, 
     {" [ C26 H50 N6 O2, db=0.00, overall=42.97, mfg=85.95 ]", ""}}, 
   {334.2344, 13.459165, "Meta"} -> {{1274242, 1276385, 1161339}, 
     {" [ C14 H26 N10, db=0.00, overall=48.06, mfg=96.12 ]", ""}}, 
   {550.4052, 13.457249, "Meta"} -> {{82939, 19919, 1}, {"", ""}}, 
   {324.1966, 13.460248, "Meta"} -> {{35982, 36994, 34170}, 
     {" [ C18 H29 Cl N2 O, overall=44.69, mfg=89.37 ]", ""}}, 
   {564.4238, 13.458964, "Meta"} -> {{68628, 73274, 61707}, 
     {" [ C31 H64 O4 S2, db=0.00, overall=46.74, mfg=93.49 ]", ""}}, 
   {352.2614, 13.460421, "Meta"} -> {{60842, 71616, 58556}, 
     {" [ C16 H37 Cl N4 O2, db=0.00, overall=31.88, mfg=63.76 ]", ""}}, 
   {348.2501, 13.460804, "Meta"} -> {{72665, 91462, 70616}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=73.70, overall=73.98, mfg=74.27, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1258.9034, 13.464168, "Meta"} -> {{26254, 25775, 23606}, 
     {" [ C60 H110 N26 O2 S, db=0.00, overall=48.42, mfg=96.83 ]", ""}}, 
   {737.5565, 13.466269, "Meta"} -> {{48350, 47126, 43546}, 
     {" [ C42 H71 N7 O4, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {663.372, 13.447, "Meta"} -> {{187424, 206463, 152369}, 
     {" [ C34 H53 N3 O10, db=0.00, overall=45.47, mfg=90.95 ]", ""}}, 
   {310.2119, 13.46397, "Meta"} -> {{82810, 80718, 60631}, 
     {"16-hydroperoxy-9Z,12,14E-octadecatrienoic acid [ C18 H30 O4, db=74.89, \
overall=76.09, mfg=77.30, Lipid ID=, KEGG ID= ]", ""}}, 
   {672.5178, 13.467082, "Meta"} -> {{59835, 67276, 82706}, 
     {" [ C38 H72 O9, db=0.00, overall=46.74, mfg=93.47 ]", ""}}, 
   {793.5824, 13.469166, "Meta"} -> {{30776, 30550, 31572}, 
     {" [ C45 H75 N7 O5, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {1228.8928, 13.47425, "Meta"} -> {{18239, 19477, 17147}, 
     {" [ C59 H108 N26 O S, db=0.00, overall=47.73, mfg=95.45 ]", ""}}, 
   {272.2356, 13.473582, "Meta"} -> {{1613022, 1884003, 1967666}, 
     {"Juniperic acid [ C16 H32 O3, db=99.19, overall=99.24, mfg=99.29, Lipid \
ID=LMFA01050051, KEGG ID= ]", ""}}, {707.546, 13.4784155, "Meta"} -> 
    {{40201, 41801, 37078}, {"GPSer(O-16:0/O-16:0)[U] [ C38 H78 N O8 P, \
db=97.09, overall=48.55, Lipid ID=LMGP03040001, KEGG ID= ]", ""}}, 
   {378.2616, 13.477462, "Meta"} -> {{155264, 246011, 219419}, 
     {" [ C19 H38 O7, db=0.00, overall=46.56, mfg=93.12 ]", ""}}, 
   {316.2426, 13.475345, "Meta"} -> {{76649, 74226, 84215}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=67.72, overall=68.95, \
mfg=70.19, Lipid ID=, KEGG ID= ]", ""}}, {314.2807, 13.483893, "Meta"} -> 
    {{15688, 23375, 19779}, {"2-hydroxy-nonadecanoic acid [ C19 H38 O3, \
db=75.81, overall=76.21, mfg=76.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {240.2088, 13.482999, "Meta"} -> {{62931, 1, 69771}, 
     {"2-pentadecenoic acid [ C15 H28 O2, db=82.32, overall=82.52, mfg=46.15, \
Lipid ID=, KEGG ID= ]", ""}}, {284.1161, 13.483778, "Meta"} -> 
    {{91746, 101614, 1}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=42.47, mfg=84.93 ]", ""}}, 
   {1582.0507, 13.488418, "Meta"} -> {{55578, 42937, 55662}, {"", ""}}, 
   {1060.7057, 13.493868, "Meta"} -> {{214112, 197335, 223970}, 
     {" [ C50 H92 N16 O7 S, db=0.00, overall=48.75, mfg=97.51 ]", ""}}, 
   {326.2458, 13.488575, "Meta"} -> {{48733, 1, 1}, 
     {"8-methoxy-13-hydroxy-9,11-octadecadienoic acid [ C19 H34 O4, db=90.14, \
overall=91.35, mfg=92.55, Lipid ID=, KEGG ID= ]", ""}}, 
   {344.2737, 13.492594, "Meta"} -> {{22682, 29042, 24256}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=50.30, \
overall=50.11, mfg=49.92, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {300.2663, 13.491872, "Meta"} -> {{119006, 129822, 114599}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=99.36, overall=99.43, \
mfg=99.49, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {384.2173, 13.474957, "Meta"} -> {{73586, 90371, 1}, 
     {" [ C16 H29 Cl N8 O, overall=35.98, mfg=71.95 ]", ""}}, 
   {439.3054, 13.494001, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H37 N7 O, db=0.00, overall=48.43, mfg=96.85 ]", ""}}, 
   {1018.6954, 13.500944, "Meta"} -> {{23494, 25062, 32888}, 
     {" [ C58 H98 O14, db=0.00, overall=45.68, mfg=91.36 ]", ""}}, 
   {539.3587, 13.501751, "Meta"} -> {{786689, 791719, 810342}, 
     {" [ C29 H45 N7 O3, db=0.00, overall=48.13, mfg=96.26 ]", ""}}, 
   {655.3844, 13.498585, "Meta"} -> {{48694, 38909, 41393}, 
     {" [ C37 H49 N7 O4, db=0.00, overall=44.31, mfg=88.61 ]", ""}}, 
   {1570.0504, 13.502209, "Meta"} -> {{21564, 23465, 24746}, {"", ""}}, 
   {1090.716, 13.503125, "Meta"} -> {{333972, 305819, 323084}, 
     {" [ C53 H106 N2 O18 S, overall=49.20, mfg=98.40 ]", ""}}, 
   {621.3613, 13.506455, "Meta"} -> {{27766, 31529, 26452}, 
     {" [ C29 H51 N9 O2 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {1110.7206, 13.513335, "Meta"} -> {{32975, 29648, 51636}, 
     {" [ C55 H106 N12 O S5, db=0.00, overall=42.12, mfg=84.25 ]", ""}}, 
   {1048.7056, 13.518664, "Meta"} -> {{126485, 131798, 106373}, 
     {" [ C51 H94 Cl2 N16 O3, db=0.00, overall=39.22, mfg=78.44 ]", ""}}, 
   {1152.7314, 13.512332, "Meta"} -> {{132869, 96734, 115421}, 
     {" [ C56 H96 N16 O8 S, db=0.00, overall=49.06, mfg=98.11 ]", ""}}, 
   {631.3846, 13.522097, "Meta"} -> {{637514, 539597, 577658}, 
     {" [ C35 H49 N7 O4, db=0.00, overall=48.70, mfg=97.40 ]", ""}}, 
   {606.4857, 13.521834, "Meta"} -> {{51815, 47001, 52309}, 
     {" [ C38 H70 O S2, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {1140.731, 13.524499, "Meta"} -> {{75765, 64968, 67945}, 
     {" [ C55 H104 N12 O7 S3, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {314.246, 13.527001, "Meta"} -> {{288855, 313574, 305886}, 
     {"Octadecanedioic acid [ C18 H34 O4, db=72.14, overall=72.25, mfg=72.36, \
HMP ID=HMDB00782, KEGG ID= ]", ""}}, {582.4857, 13.525584, "Meta"} -> 
    {{162199, 133601, 153205}, 
     {" [ C35 H66 O6, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {569.3693, 13.525403, "Meta"} -> {{1514639, 1494947, 1484010}, 
     {" [ C23 H47 N13 O2 S, db=0.00, overall=45.06, mfg=90.12 ]", ""}}, 
   {1078.7145, 13.528459, "Meta"} -> {{76735, 81040, 69198}, 
     {" [ C52 H106 N2 O18 S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {558.368, 13.527192, "Meta"} -> {{46545, 47579, 45799}, 
     {" [ C33 H54 N2 O S2, db=0.00, overall=47.63, mfg=95.26 ]", ""}}, 
   {651.3722, 13.53012, "Meta"} -> {{58467, 62423, 61333}, 
     {" [ C30 H53 N9 O3 S2, db=0.00, overall=42.63, mfg=85.25 ]", ""}}, 
   {359.3035, 13.532201, "Meta"} -> {{28768, 27224, 26239}, 
     {" [ C20 H41 N O4, db=0.00, overall=44.23, mfg=88.45 ]", ""}}, 
   {420.2715, 13.535121, "Meta"} -> {{136574, 95217, 106072}, 
     {" [ C12 H38 Cl2 N12, db=0.00, overall=35.79, mfg=71.58 ]", ""}}, 
   {414.2978, 13.535334, "Meta"} -> {{3078943, 2403186, 2998343}, 
     {" [ C23 H42 O6, db=0.00, overall=49.52, mfg=99.04 ]", ""}}, 
   {390.255, 13.537915, "Meta"} -> {{411331, 384054, 397485}, 
     {" [ C22 H35 Cl N4, db=0.00, overall=48.41, mfg=96.82 ]", ""}}, 
   {740.5403, 13.5273695, "Meta"} -> {{156426, 112543, 172112}, 
     {" [ C38 H72 N6 O8, db=0.00, overall=49.00, mfg=98.01 ]", ""}}, 
   {410.3028, 13.529831, "Meta"} -> {{46078, 59552, 42248}, 
     {" [ C25 H46 S2, db=0.00, overall=33.76, mfg=67.51 ]", ""}}, 
   {452.2954, 13.539042, "Meta"} -> {{179592, 148515, 142748}, 
     {" [ C29 H41 Cl N2, db=0.00, overall=37.09, mfg=74.18 ]", ""}}, 
   {716.5407, 13.540958, "Meta"} -> {{506367, 377362, 543868}, 
     {"1,2-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol [ C47 H72 O5, \
db=86.01, overall=86.31, mfg=86.61, KEGG ID=, CAS ID= ]", ""}}, 
   {242.2245, 13.545001, "Meta"} -> {{36759, 43007, 38287}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=77.25, overall=77.28, mfg=77.31, \
KEGG ID=, CAS ID= ]", ""}}, {781.5633, 13.551888, "Meta"} -> 
    {{1, 1, 43349}, 
     {" [ C44 H86 Cl3 N O3, db=0.00, overall=25.02, mfg=50.05 ]", ""}}, 
   {757.561, 13.55539, "Meta"} -> {{53622, 20609, 18332}, 
     {"GPEtnNMe(18:1(9Z)/18:1(9Z))[U] [ C42 H80 N O8 P, db=57.60, \
overall=28.80, Lipid ID=LMGP02010333, KEGG ID= ]", ""}}, 
   {656.5011, 13.546249, "Meta"} -> {{190401, 150372, 190443}, 
     {" [ C41 H68 O6, db=0.00, overall=49.74, mfg=99.49 ]", ""}}, 
   {823.5724, 13.550159, "Meta"} -> {{32593, 36712, 36200}, 
     {" [ C44 H86 Cl N O8 S, db=0.00, overall=33.93, mfg=67.87 ]", ""}}, 
   {811.5719, 13.548519, "Meta"} -> {{28611, 31675, 30468}, 
     {" [ C48 H81 N3 O3 S2, db=0.00, overall=45.84, mfg=91.68 ]", ""}}, 
   {468.2897, 13.543374, "Meta"} -> {{187250, 172070, 189453}, 
     {" [ C26 H44 O5 S, overall=43.27, mfg=86.53 ]", ""}}, 
   {680.5018, 13.547253, "Meta"} -> {{94499, 79711, 111071}, 
     {" [ C43 H68 O6, db=0.00, overall=34.13, mfg=68.27 ]", ""}}, 
   {972.6534, 13.550624, "Meta"} -> {{32774, 40257, 44389}, 
     {" [ C49 H92 N6 O11 S, db=0.00, overall=46.70, mfg=93.40 ]", ""}}, 
   {984.6544, 13.55, "Meta"} -> {{41952, 36959, 40240}, 
     {" [ C50 H92 N6 O11 S, db=0.00, overall=45.17, mfg=90.35 ]", ""}}, 
   {632.5016, 13.551066, "Meta"} -> {{649981, 591655, 691302}, 
     {" [ C39 H68 O6, db=0.00, overall=49.11, mfg=98.22 ]", ""}}, 
   {638.4393, 13.553257, "Meta"} -> {{33036, 34023, 32436}, 
     {" [ C41 H58 N4 S, db=0.00, overall=45.15, mfg=90.29 ]", ""}}, 
   {787.5719, 13.554892, "Meta"} -> {{73291, 77359, 70063}, 
     {" [ C38 H77 N9 O6 S, db=0.00, overall=48.89, mfg=97.79 ]", ""}}, 
   {302.2241, 13.553083, "Meta"} -> {{3429922, 3646106, 3781446}, 
     {"Timnodonic acid [ C20 H30 O2, db=98.17, overall=88.79, mfg=98.55, \
Lipid ID=LMFA01030181, KEGG ID= ]", ""}}, {1223.225, 13.55224, "Meta"} -> 
    {{1, 1, 18419}, 
     {" [ C40 H41 N17 O29, db=0.00, overall=45.00, mfg=89.99 ]", ""}}, 
   {338.2023, 13.554961, "Meta"} -> {{1, 1, 1}, 
     {" [ C20 H31 Cl O2, db=0.00, overall=42.11, mfg=84.22 ]", ""}}, 
   {408.25, 13.554221, "Meta"} -> {{409153, 456794, 463467}, 
     {" [ C20 H28 N10, db=0.00, overall=46.27, mfg=92.54 ]", ""}}, 
   {463.3065, 13.556399, "Meta"} -> {{1, 825281, 989867}, 
     {" [ C26 H37 N7 O, db=0.00, overall=42.05, mfg=84.09 ]", ""}}, 
   {602.4277, 13.557445, "Meta"} -> {{20990, 22434, 21739}, 
     {" [ C32 H50 N12, db=0.00, overall=30.62, mfg=61.24 ]", ""}}, 
   {849.5872, 13.5579605, "Meta"} -> {{38624, 38289, 36344}, 
     {" [ C43 H79 N9 O6 S, db=0.00, overall=47.46, mfg=94.91 ]", ""}}, 
   {388.2289, 13.563909, "Meta"} -> {{15763, 16132, 15798}, 
     {" [ C20 H37 Cl N2 O S, overall=39.25, mfg=78.51 ]", ""}}, 
   {1199.2252, 13.564082, "Meta"} -> {{34062, 39376, 40550}, 
     {" [ C43 H37 N21 O20 S, db=0.00, overall=40.15, mfg=80.29 ]", ""}}, 
   {614.4393, 13.564332, "Meta"} -> {{67244, 56362, 53089}, 
     {" [ C39 H58 N4 S, db=0.00, overall=44.11, mfg=88.21 ]", ""}}, 
   {278.2239, 13.563611, "Meta"} -> {{7044835, 7759232, 7249074}, 
     {"beta-eleostearic acid [ C18 H30 O2, db=96.74, overall=98.00, \
mfg=97.73, Lipid ID=LMFA01030148, KEGG ID= ]", ""}}, 
   {340.2427, 13.557027, "Meta"} -> {{322806, 351611, 371753}, 
     {" [ C20 H36 O2 S, db=0.00, overall=44.04, mfg=88.09 ]", ""}}, 
   {374.2131, 13.564907, "Meta"} -> {{13588, 18070, 15882}, 
     {" [ C22 H31 Cl N2 O, overall=45.70, mfg=91.40 ]", ""}}, 
   {384.2501, 13.564945, "Meta"} -> {{937264, 952292, 907645}, 
     {"Pro Leu Arg [ C17 H32 N6 O4, db=92.06, overall=92.06, mfg=92.05 ]", 
      ""}}, {398.2654, 13.565722, "Meta"} -> {{62749, 90228, 80685}, 
     {" [ C23 H42 O S2, overall=36.88, mfg=73.77 ]", ""}}, 
   {652.5273, 13.573624, "Meta"} -> {{69138, 69476, 39575}, 
     {" [ C36 H72 N6 S2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {369.2882, 13.57631, "Meta"} -> {{45602, 58426, 49463}, 
     {"cis-5-Tetradecenoylcarnitine [ C21 H39 N O4, db=69.76, overall=57.58, \
mfg=74.19, HMP ID=HMDB02014, KEGG ID= ]", ""}}, 
   {578.4303, 13.564912, "Meta"} -> {{14732, 1, 14612}, 
     {" [ C33 H59 Cl N4 O2, db=0.00, overall=37.80, mfg=75.60 ]", ""}}, 
   {1022.7262, 13.583599, "Meta"} -> {{45952, 43804, 55047}, 
     {" [ C47 H98 N12 O10 S, db=0.00, overall=48.30, mfg=96.60 ]", ""}}, 
   {541.3744, 13.587721, "Meta"} -> {{968089, 947932, 1053001}, 
     {" [ C29 H47 N7 O3, db=0.00, overall=47.74, mfg=95.48 ]", ""}}, 
   {266.2247, 13.585485, "Meta"} -> {{75347, 78674, 79676}, 
     {"8-heptadecynoic acid [ C17 H30 O2, db=96.62, overall=96.93, mfg=95.33, \
Lipid ID=, KEGG ID= ]", ""}}, {434.3237, 13.582292, "Meta"} -> 
    {{208149, 253544, 129898}, 
     {" [ C19 H43 Cl N8 O, overall=40.46, mfg=80.92 ]", ""}}, 
   {529.2717, 13.575902, "Meta"} -> {{121492, 152273, 118152}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=92.82, overall=85.66, mfg=92.28, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {442.3654, 13.572308, "Meta"} -> {{19881, 19131, 19481}, 
     {" [ C27 H54 S2, db=0.00, overall=40.14, mfg=80.27 ]", ""}}, 
   {342.2769, 13.5874815, "Meta"} -> {{57611, 63428, 1}, 
     {"Eicosanedioic acid [ C20 H38 O4, db=91.95, overall=92.64, mfg=93.33, \
Lipid ID=LMFA01170035, KEGG ID= ]", ""}}, {481.3169, 13.590119, "Meta"} -> 
    {{525980, 546203, 584136}, {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=99.34, \
overall=49.67, Lipid ID=LMGP02050001, KEGG ID= ]", ""}}, 
   {268.2041, 13.593537, "Meta"} -> {{25425, 29582, 30964}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=84.83, overall=84.85, mfg=84.88, Lipid ID=, KEGG ID= ]", ""}}, 
   {326.2252, 13.593135, "Meta"} -> {{39055, 40903, 1}, 
     {"3a-OH Desogestrel [ C22 H30 O2, db=73.72, overall=74.71, mfg=75.71, \
KEGG ID=, CAS ID=70805-84-4 ]", "70805-84-4"}}, 
   {607.3847, 13.599578, "Meta"} -> {{934337, 775179, 861366}, 
     {" [ C33 H49 N7 O4, db=0.00, overall=48.23, mfg=96.45 ]", ""}}, 
   {502.3273, 13.58792, "Meta"} -> {{41323, 27974, 42019}, 
     {" [ C24 H52 Cl2 N2 O4, db=0.00, overall=27.07, mfg=54.15 ]", ""}}, 
   {608.5015, 13.597766, "Meta"} -> {{581065, 508346, 548623}, 
     {" [ C37 H68 O6, db=0.00, overall=49.20, mfg=98.41 ]", ""}}, 
   {692.5398, 13.598834, "Meta"} -> {{108015, 76987, 102058}, 
     {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)\
-sn-glycerol [ C45 H72 O5, db=88.42, overall=88.78, mfg=89.14, KEGG ID=, CAS \
ID= ]", ""}}, {458.3595, 13.593194, "Meta"} -> {{35394, 39363, 32789}, 
     {" [ C22 H47 Cl N8, db=0.00, overall=35.33, mfg=70.67 ]", ""}}, 
   {428.2951, 13.602207, "Meta"} -> {{78960, 81744, 88959}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=41.71, \
overall=40.79, mfg=39.88, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {628.5271, 13.600583, "Meta"} -> {{54262, 53196, 37695}, 
     {" [ C34 H72 N6 S2, db=0.00, overall=48.36, mfg=96.72 ]", ""}}, 
   {528.4019, 13.603054, "Meta"} -> {{46385, 61850, 49256}, 
     {" [ C27 H48 N10 O, db=0.00, overall=38.43, mfg=76.86 ]", ""}}, 
   {742.5766, 13.602376, "Meta"} -> {{98495, 80060, 70160}, 
     {" [ C40 H74 N10 O S, overall=48.05, mfg=96.11 ]", ""}}, 
   {390.2984, 13.636205, "Meta"} -> {{1, 1, 2706739}, 
     {" [ C22 H46 O S2, db=0.00, overall=47.37, mfg=94.73 ]", ""}}, 
   {366.2539, 13.605846, "Meta"} -> {{540352, 490733, 447228}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.48, mfg=98.95 ]", ""}}, 
   {668.5403, 13.606709, "Meta"} -> {{307379, 289245, 246698}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=87.19, \
overall=87.60, mfg=88.01, KEGG ID=, CAS ID= ]", ""}}, 
   {658.5381, 13.606923, "Meta"} -> {{330266, 306323, 293040}, 
     {" [ C38 H74 O8, db=0.00, overall=49.28, mfg=98.56 ]", ""}}, 
   {488.2975, 13.626484, "Meta"} -> {{86526, 1, 76543}, 
     {" [ C29 H45 Cl N2 S, db=0.00, overall=31.17, mfg=62.34 ]", ""}}, 
   {444.2888, 13.608402, "Meta"} -> {{188864, 169432, 160446}, 
     {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone / \
(23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, db=77.98, \
overall=78.41, mfg=78.84, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {398.2149, 13.615879, "Meta"} -> {{1, 62973, 52367}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=52.72, overall=53.23, \
mfg=53.74, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {584.5019, 13.611776, "Meta"} -> {{2324977, 2446847, 2182246}, 
     {" [ C35 H68 O6, db=0.00, overall=49.27, mfg=98.54 ]", ""}}, 
   {1282.9375, 13.6120825, "Meta"} -> {{22443, 27739, 30022}, 
     {" [ C55 H118 N28 O3 S2, db=0.00, overall=47.89, mfg=95.77 ]", ""}}, 
   {412.3184, 13.608104, "Meta"} -> {{30624, 26870, 1}, 
     {" [ C24 H44 O5, db=0.00, overall=31.25, mfg=62.50 ]", ""}}, 
   {520.3581, 13.6206665, "Meta"} -> {{28797, 22722, 11431}, 
     {"1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin \
D3 / 1alpha,25-dihydroxy-11-(4- [ C34 H48 O4, db=53.13, overall=55.91, \
mfg=58.69, Lipid ID=LMST03020535, KEGG ID= ]", ""}}, 
   {532.4487, 13.614248, "Meta"} -> {{39070, 52006, 47302}, 
     {" [ C34 H60 O4, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {735.5771, 13.614751, "Meta"} -> {{112485, 128005, 135689}, 
     {" [ C43 H73 N7 O3, db=0.00, overall=49.19, mfg=98.37 ]", ""}}, 
   {733.5618, 13.616236, "Meta"} -> {{15728, 1, 17368}, 
     {" [ C43 H71 N7 O3, overall=33.66, mfg=67.32 ]", ""}}, 
   {944.7464, 13.613168, "Meta"} -> {{33527, 28783, 25019}, 
     {" [ C53 H104 N2 O9 S, db=0.00, overall=48.53, mfg=97.06 ]", ""}}, 
   {801.5882, 13.616232, "Meta"} -> {{170367, 160029, 162665}, 
     {" [ C47 H75 N7 O4, db=0.00, overall=48.48, mfg=96.95 ]", ""}}, 
   {775.5719, 13.61752, "Meta"} -> {{58392, 61725, 54826}, 
     {" [ C45 H73 N7 O4, db=0.00, overall=43.17, mfg=86.34 ]", ""}}, 
   {428.2235, 13.613903, "Meta"} -> {{53271, 62833, 35093}, 
     {" [ C23 H40 O S3, db=0.00, overall=44.90, mfg=89.79 ]", ""}}, 
   {254.2242, 13.6229725, "Meta"} -> {{1.23*^7, 1.36*^7, 1.26*^7}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=96.67, overall=98.25, mfg=97.79, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {364.229, 13.625028, "Meta"} -> 
    {{1, 44137, 47295}, 
     {" [ C18 H37 Cl N2 O S, db=0.00, overall=37.23, mfg=74.47 ]", ""}}, 
   {506.355, 13.607839, "Meta"} -> {{51811, 77899, 1}, 
     {" [ C37 H46 O, overall=34.99, mfg=69.98 ]", ""}}, 
   {530.4309, 13.622694, "Meta"} -> {{56932, 63701, 56148}, 
     {" [ C30 H54 N6 O2, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {1175.2249, 13.624196, "Meta"} -> {{76441, 78830, 79649}, 
     {" [ C43 H49 N7 O30 S, db=0.00, overall=39.89, mfg=79.79 ]", ""}}, 
   {576.4214, 13.623375, "Meta"} -> {{1, 18290, 30671}, 
     {" [ C37 H62 Cl2, overall=36.18, mfg=72.35 ]", ""}}, 
   {490.3656, 13.626224, "Meta"} -> {{262280, 295808, 266905}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=96.06, \
overall=96.21, mfg=96.35, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {344.2382, 13.625513, "Meta"} -> {{19789, 24069, 25564}, 
     {"(+/-)-11-HDoHE [ C22 H32 O3, db=50.12, overall=51.35, mfg=52.58, Lipid \
ID=LMFA04000028, KEGG ID= ]", ""}}, {350.2125, 13.624639, "Meta"} -> 
    {{39950, 39229, 37371}, 
     {" [ C20 H31 Cl N2 O, overall=43.01, mfg=86.01 ]", ""}}, 
   {316.2429, 13.625112, "Meta"} -> {{1104430, 1190724, 1119882}, 
     {"2-mercapto-octadecanoic acid [ C18 H36 O2 S, db=89.31, overall=90.21, \
mfg=91.11, Lipid ID=, KEGG ID= ]", ""}}, {565.3739, 13.6392355, "Meta"} -> 
    {{133545, 132718, 149253}, 
     {" [ C31 H47 N7 O3, overall=38.74, mfg=77.49 ]", ""}}, 
   {649.3926, 13.679099, "Meta"} -> {{19741, 14576, 16757}, 
     {" [ C35 H59 N3 O4 S2, db=0.00, overall=46.54, mfg=93.09 ]", ""}}, 
   {336.2276, 13.626416, "Meta"} -> {{107723, 100211, 91395}, 
     {"15-epi-PGA1 [ C20 H32 O4, db=84.32, overall=84.49, mfg=84.67, Lipid \
ID=LMFA03010047, KEGG ID= ]", ""}}, {360.2501, 13.6275425, "Meta"} -> 
    {{1428570, 1416112, 1408641}, 
     {" [ C16 H28 N10, db=0.00, overall=47.75, mfg=95.49 ]", ""}}, 
   {374.2664, 13.627219, "Meta"} -> {{72660, 107139, 81205}, 
     {" [ C20 H38 O6, db=0.00, overall=42.30, mfg=84.59 ]", ""}}, 
   {298.2508, 13.632913, "Meta"} -> {{172187, 181136, 169405}, 
     {"8R-hydroxy-9Z-octadecenoic acid [ C18 H34 O3, db=84.67, overall=84.96, \
mfg=85.25, Lipid ID=, KEGG ID= ]", ""}}, {324.2662, 13.631027, "Meta"} -> 
    {{36719, 38456, 37274}, {"11S-HEDE [ C20 H36 O3, db=62.05, overall=62.03, \
mfg=62.02, Lipid ID=LMFA01020178, KEGG ID= ]", ""}}, 
   {378.2765, 13.636085, "Meta"} -> {{76851, 81438, 73895}, 
     {"9-deoxy-9-methylene-16,16-dimethyl -PGE2 [ C23 H38 O4, db=61.39, \
overall=61.71, mfg=62.02, Lipid ID=LMFA03010059, KEGG ID= ]", ""}}, 
   {380.2915, 13.643999, "Meta"} -> {{46603, 45874, 41415}, 
     {"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol [ C23 H40 O4, \
db=60.55, overall=53.47, mfg=60.42, Lipid ID=, KEGG ID= ]", ""}}, 
   {777.5876, 13.653714, "Meta"} -> {{168946, 197721, 182354}, 
     {" [ C37 H79 N9 O6 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {1130.747, 13.653792, "Meta"} -> {{65652, 42876, 54638}, 
     {" [ C53 H102 N12 O12 S, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {328.2616, 13.645967, "Meta"} -> {{60503, 74199, 68996}, 
     {" [ C19 H36 O4, db=0.00, overall=35.87, mfg=71.74 ]", ""}}, 
   {280.2395, 13.658807, "Meta"} -> {{29786, 25776, 1}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.50, overall=84.60, \
mfg=84.71, Lipid ID=, KEGG ID= ]", ""}}, {765.5877, 13.661706, "Meta"} -> 
    {{26824, 29053, 36909}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.47, mfg=96.94 ]", ""}}, 
   {242.2248, 13.660813, "Meta"} -> {{620778, 586514, 576985}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.68, overall=99.68, mfg=99.68, \
KEGG ID=, CAS ID= ]", ""}}, {400.318, 13.656425, "Meta"} -> 
    {{24557, 29013, 24352}, 
     {" [ C23 H44 O5, db=0.00, overall=38.37, mfg=76.74 ]", ""}}, 
   {451.3062, 13.665453, "Meta"} -> {{76994, 111859, 90331}, 
     {" [ C25 H45 N3 S2, db=0.00, overall=42.49, mfg=84.98 ]", ""}}, 
   {348.2499, 13.660864, "Meta"} -> {{102459, 110377, 98872}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=91.61, overall=92.14, mfg=92.66, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {665.3876, 13.666133, "Meta"} -> {{86729, 82172, 78330}, 
     {" [ C31 H55 N9 O3 S2, db=0.00, overall=44.83, mfg=89.67 ]", ""}}, 
   {456.3812, 13.664499, "Meta"} -> {{99745, 105631, 97296}, 
     {" [ C27 H52 O5, db=0.00, overall=38.97, mfg=77.93 ]", ""}}, 
   {1188.7504, 13.665168, "Meta"} -> {{23311, 23581, 24492}, 
     {" [ C59 H96 N16 O10, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {1106.7476, 13.665501, "Meta"} -> {{253177, 264464, 271565}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {583.3852, 13.666971, "Meta"} -> {{1675177, 1691904, 1697032}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.70, mfg=95.40 ]", ""}}, 
   {448.3183, 13.719814, "Meta"} -> {{1, 23227, 13938}, 
     {"Porrigenin A [ C27 H44 O5, db=57.56, overall=57.93, mfg=58.29, Lipid \
ID=LMST01080001, KEGG ID= ]", ""}}, {400.2281, 13.686765, "Meta"} -> 
    {{34420, 35121, 28248}, {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 \
O5, db=56.49, overall=57.46, mfg=58.43, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3043, 13.702999, "Meta"} -> {{1, 24365, 28983}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=38.16, overall=42.44, mfg=46.71 ]", 
      ""}}, {438.3344, 13.697001, "Meta"} -> {{54535, 44214, 72845}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.78, \
overall=76.97, mfg=77.15, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {553.3746, 13.702567, "Meta"} -> {{38558, 19504, 35025}, 
     {" [ C29 H52 Cl N5 O3, db=0.00, overall=37.56, mfg=75.13 ]", ""}}, 
   {584.502, 13.694842, "Meta"} -> {{1218574, 1252691, 1032516}, 
     {" [ C35 H68 O6, db=0.00, overall=48.79, mfg=97.59 ]", ""}}, 
   {292.2401, 13.698751, "Meta"} -> {{18484, 22248, 17787}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=84.35, overall=84.38, \
mfg=84.41, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {426.2079, 13.7028055, "Meta"} -> {{9019, 23478, 1}, 
     {"9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=76.94, overall=38.47, KEGG \
ID=, CAS ID=144598-75-4 ]", "144598-75-4"}}, 
   {1004.6799, 13.695561, "Meta"} -> {{536398, 576896, 579842}, 
     {" [ C42 H92 N12 O15, db=0.00, overall=49.13, mfg=98.27 ]", ""}}, 
   {432.3231, 13.7027445, "Meta"} -> {{50732, 73632, 49033}, 
     {" [ C19 H36 N12, overall=33.23, mfg=66.46 ]", ""}}, 
   {1528.0413, 13.69667, "Meta"} -> {{99201, 60542, 109160}, {"", ""}}, 
   {742.5564, 13.697917, "Meta"} -> {{96571, 76880, 86166}, 
     {" [ C46 H78 O5 S, db=0.00, overall=45.39, mfg=90.79 ]", ""}}, 
   {372.1971, 13.698823, "Meta"} -> {{92617, 94411, 81949}, 
     {"16-phenyl-tetranor-PGE2 [ C22 H28 O5, db=64.93, overall=65.95, \
mfg=66.96, Lipid ID=LMFA03010066, KEGG ID= ]", ""}}, 
   {778.5446, 13.705209, "Meta"} -> {{42158, 35506, 26559}, 
     {" [ C42 H74 N4 O9, overall=32.44, mfg=64.88 ]", ""}}, 
   {481.316, 13.699806, "Meta"} -> {{5213286, 5356420, 5495247}, 
     {"GPEtn(18:0/0:0) [ C23 H48 N O7 P, db=96.97, overall=48.48, Lipid \
ID=LMGP02050001, KEGG ID= ]", ""}}, {444.2887, 13.702362, "Meta"} -> 
    {{280805, 275220, 386091}, {"(23R,25R)-1alpha,25-dihydroxyvitamin D3 \
26,23-lactone / (23R,25R)-1alpha,25-dihydroxycholecalciferol [ C27 H40 O5, \
db=68.15, overall=69.29, mfg=70.43, Lipid ID=LMST03020122, KEGG ID= ]", ""}}, 
   {563.3196, 13.700788, "Meta"} -> {{62832, 67193, 59963}, 
     {" [ C29 H45 N3 O8, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {761.5926, 13.702537, "Meta"} -> {{1, 1, 16917}, 
     {" [ C38 H83 N9 S3, overall=38.78, mfg=77.56 ]", ""}}, 
   {270.2196, 13.707857, "Meta"} -> {{24567, 26501, 22638}, 
     {"3-keto palmitic acid [ C16 H30 O3, db=63.09, overall=63.15, mfg=63.21, \
Lipid ID=LMFA01060051, KEGG ID= ]", ""}}, {988.6851, 13.703963, "Meta"} -> 
    {{114793, 121484, 131031}, 
     {" [ C50 H96 N6 O11 S, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {456.1994, 13.715078, "Meta"} -> {{60469, 43571, 33426}, 
     {"Phe Tyr Gln [ C23 H28 N4 O6, db=74.34, overall=72.14, mfg=77.30 ]", 
      ""}}, {756.5556, 13.702915, "Meta"} -> {{296502, 273160, 320069}, 
     {" [ C32 H68 N16 O5, overall=48.36, mfg=96.73 ]", ""}}, 
   {567.3898, 13.711526, "Meta"} -> {{302470, 298570, 316858}, 
     {" [ C24 H49 N13 O S, overall=48.84, mfg=97.69 ]", ""}}, 
   {503.2306, 13.703879, "Meta"} -> {{87015, 59819, 46137}, 
     {" [ C26 H30 Cl N9, db=0.00, overall=44.92, mfg=89.84 ]", ""}}, 
   {730.558, 13.703999, "Meta"} -> {{131691, 125324, 112267}, 
     {" [ C46 H82 S3, db=0.00, overall=47.79, mfg=95.59 ]", ""}}, 
   {458.3594, 13.721726, "Meta"} -> {{56035, 58212, 53872}, 
     {" [ C27 H54 O S2, db=0.00, overall=45.05, mfg=90.09 ]", ""}}, 
   {1171.8378, 13.703583, "Meta"} -> {{30161, 27777, 27704}, 
     {" [ C55 H109 N15 O12, db=0.00, overall=46.25, mfg=92.51 ]", ""}}, 
   {428.2951, 13.704699, "Meta"} -> {{573093, 565210, 615135}, 
     {"(23S,25R)-25-hydroxyvitamin D3 26,23-lactone / \
(23S,25R)-25-hydroxycholecalciferol 26,23-lactone [ C27 H40 O4, db=53.21, \
overall=53.87, mfg=54.53, Lipid ID=LMST03020116, KEGG ID= ]", ""}}, 
   {770.5713, 13.703542, "Meta"} -> {{25381, 23948, 29361}, 
     {" [ C40 H78 N6 O6 S, overall=43.01, mfg=86.03 ]", ""}}, 
   {1068.8221, 13.703376, "Meta"} -> {{116618, 103472, 111243}, 
     {" [ C50 H108 N12 O12, db=0.00, overall=47.75, mfg=95.51 ]", ""}}, 
   {998.8178, 13.703625, "Meta"} -> {{1140241, 998285, 861141}, 
     {" [ C51 H110 N6 O12, db=0.00, overall=49.74, mfg=99.47 ]", ""}}, 
   {520.3268, 13.708169, "Meta"} -> {{25789, 26078, 31780}, 
     {" [ C28 H40 N8 O2, db=0.00, overall=31.90, mfg=63.79 ]", ""}}, 
   {430.202, 13.703002, "Meta"} -> {{61889, 45374, 41015}, 
     {" [ C25 H34 O2 S2, db=0.00, overall=43.71, mfg=87.43 ]", ""}}, 
   {60.0216, 13.704731, "Meta"} -> {{1675017, 1574452, 1604911}, 
     {"Glycolaldehyde [ C2 H4 O2, db=85.75, overall=42.87, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {402.28, 13.704411, "Meta"} -> 
    {{138690, 153652, 194353}, {"1alpha-hydroxy-26,27-dinorvitamin D3 \
25-carboxylic acid / 1alpha-hydroxy-26,27-dinorcholecalciferol [ C25 H38 O4, \
db=44.55, overall=44.70, mfg=40.78, Lipid ID=LMST03020025, KEGG ID= ]", ""}}, 
   {668.5394, 13.704, "Meta"} -> {{1.05*^7, 9332149, 8314352}, 
     {"1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol [ C43 H72 O5, db=89.26, \
overall=89.24, mfg=89.23, KEGG ID=, CAS ID= ]", ""}}, 
   {366.2541, 13.706363, "Meta"} -> {{1645410, 1628311, 1394684}, 
     {" [ C19 H39 Cl O4, db=0.00, overall=49.31, mfg=98.61 ]", ""}}, 
   {1090.7526, 13.720809, "Meta"} -> {{64179, 78064, 98360}, 
     {" [ C54 H110 N2 O17 S, db=0.00, overall=49.29, mfg=98.58 ]", ""}}, 
   {713.4648, 13.704125, "Meta"} -> {{56616, 41893, 27108}, 
     {" [ C45 H63 N O6, db=0.00, overall=47.42, mfg=94.84 ]", ""}}, 
   {686.5507, 13.705041, "Meta"} -> {{280449, 244315, 227731}, 
     {" [ C38 H76 Cl2 N6, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {312.2666, 13.712837, "Meta"} -> {{15271, 14433, 11763}, 
     {"18-oxo-nonadecanoic acid [ C19 H36 O3, db=63.37, overall=63.48, \
mfg=63.59, Lipid ID=, KEGG ID= ]", ""}}, {1359.0623, 13.706832, "Meta"} -> 
    {{303388, 244416, 155214}, 
     {" [ C59 H21 N13 O28, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {90.0319, 13.728286, "Meta"} -> {{118110, 127730, 111084}, 
     {"Dihydroxyacetone (glycerone) [ C3 H6 O3, db=84.06, overall=84.09, \
mfg=84.12, KEGG ID=C00184, CAS ID=96-26-4 ]", "96-26-4"}}, 
   {657.4002, 13.715875, "Meta"} -> {{36787, 28669, 26763}, 
     {" [ C30 H51 N13 O2 S, db=0.00, overall=46.55, mfg=93.11 ]", ""}}, 
   {484.3761, 13.72986, "Meta"} -> {{123751, 196421, 149230}, 
     {" [ C28 H52 O6, db=0.00, overall=46.74, mfg=62.23 ]", ""}}, 
   {661.8515, 13.7157345, "Meta"} -> {{1, 31193, 30635}, 
     {" [ C18 H7 Cl N6 O10 S5, db=0.00, overall=48.78, mfg=97.56 ]", ""}}, 
   {300.2664, 13.714778, "Meta"} -> {{84730, 89580, 84907}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.28, overall=98.36, \
mfg=98.45, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {572.5019, 13.719435, "Meta"} -> {{1252575, 1256368, 1057884}, 
     {" [ C34 H68 O6, db=0.00, overall=49.85, mfg=99.71 ]", ""}}, 
   {1024.8322, 13.725624, "Meta"} -> {{34397, 28463, 28784}, 
     {" [ C57 H112 N6 O7 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {718.5557, 13.727708, "Meta"} -> {{60764, 48224, 57811}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy\
l)-sn-glycerol [ C47 H74 O5, db=80.18, overall=81.13, mfg=82.08, KEGG ID=, \
CAS ID= ]", ""}}, {665.3878, 13.741818, "Meta"} -> 
    {{58408, 59271, 46487}, 
     {" [ C34 H55 N3 O10, db=0.00, overall=46.05, mfg=92.11 ]", ""}}, 
   {242.2248, 13.72947, "Meta"} -> {{994961, 1116770, 973150}, 
     {"Isopentadecylic acid [ C15 H30 O2, db=99.92, overall=99.92, mfg=99.92, \
KEGG ID=, CAS ID= ]", ""}}, {765.5881, 13.731083, "Meta"} -> 
    {{70272, 68884, 56372}, 
     {" [ C44 H75 N7 O4, db=0.00, overall=48.50, mfg=96.99 ]", ""}}, 
   {694.5558, 13.729958, "Meta"} -> {{103926, 94808, 101750}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.27, overall=90.58, mfg=90.89, KEGG ID=, CAS ID= \
]", ""}}, {440.3139, 13.727459, "Meta"} -> {{165720, 143563, 135762}, 
     {" [ C21 H41 Cl N8, overall=37.45, mfg=74.90 ]", ""}}, 
   {324.2278, 13.724291, "Meta"} -> {{14819, 1, 11983}, 
     {"5-(Tetradecyloxy)-2-furoic acid [ C19 H32 O4, db=64.35, overall=65.27, \
mfg=66.18, KEGG ID=, CAS ID=54857-86-2 ]", "54857-86-2"}}, 
   {286.2508, 13.73036, "Meta"} -> {{65517, 73488, 63061}, 
     {"2-hydroxy-heptadecanoic acid [ C17 H34 O3, db=86.03, overall=90.34, \
mfg=86.09, Lipid ID=, KEGG ID= ]", ""}}, {1288.9493, 13.734665, "Meta"} -> 
    {{16948, 15934, 15065}, 
     {" [ C57 H120 N22 O11, db=0.00, overall=47.95, mfg=95.89 ]", ""}}, 
   {1163.2253, 13.731114, "Meta"} -> {{12104, 16207, 11176}, 
     {" [ C42 H49 N7 O30 S, db=0.00, overall=43.67, mfg=87.35 ]", ""}}, 
   {598.517, 13.732165, "Meta"} -> {{82575, 73872, 73095}, 
     {" [ C36 H70 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {416.3138, 13.733916, "Meta"} -> {{551266, 505045, 575236}, 
     {" [ C17 H40 N10 S, db=0.00, overall=38.60, mfg=77.20 ]", ""}}, 
   {348.2499, 13.733082, "Meta"} -> {{112142, 126350, 115394}, 
     {"Dodecyl glucoside [ C18 H36 O6, db=93.93, overall=93.95, mfg=93.98, \
KEGG ID=, CAS ID=59122-55-3 ]", "59122-55-3"}}, 
   {1188.7506, 13.745125, "Meta"} -> {{50830, 44666, 39570}, 
     {" [ C52 H96 N22 O8 S, db=0.00, overall=49.04, mfg=98.08 ]", ""}}, 
   {613.395, 13.75623, "Meta"} -> {{32819, 33331, 32382}, 
     {" [ C40 H55 N O2 S, db=0.00, overall=46.62, mfg=93.25 ]", ""}}, 
   {1106.7487, 13.760451, "Meta"} -> {{1851744, 1614852, 1577889}, 
     {" [ C47 H102 N12 O17, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {583.3839, 13.760999, "Meta"} -> {{8532624, 8144308, 8028001}, 
     {" [ C30 H53 N3 O8, db=0.00, overall=47.07, mfg=94.14 ]", ""}}, 
   {528.2006, 13.753639, "Meta"} -> {{172424, 140955, 151678}, 
     {" [ C29 H28 N4 O6, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {559.3408, 13.772741, "Meta"} -> {{112561, 120996, 52477}, 
     {" [ C29 H46 Cl N7 O2, db=0.00, overall=48.28, mfg=96.56 ]", ""}}, 
   {410.2657, 13.767251, "Meta"} -> {{1182774, 24462, 1209747}, 
     {"PGF2alpha-11-acetate methyl ester [ C23 H38 O6, db=89.80, \
overall=90.30, mfg=90.80, Lipid ID=LMFA03010097, KEGG ID= ]", ""}}, 
   {366.2577, 13.786443, "Meta"} -> {{103092, 111696, 91074}, 
     {" [ C15 H38 N6 S2, db=0.00, overall=39.99, mfg=79.99 ]", ""}}, 
   {434.2657, 13.782055, "Meta"} -> {{443468, 457309, 516398}, 
     {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, db=91.77, overall=92.03, \
mfg=92.30, KEGG ID=, CAS ID=114883-29-3 ]", "114883-29-3"}}, 
   {424.2814, 13.7844715, "Meta"} -> {{135533, 116120, 160117}, 
     {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic Acid [ \
C24 H40 O6, db=72.29, overall=73.38, mfg=74.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {1225.2406, 13.78289, "Meta"} -> {{91558, 87792, 84605}, 
     {" [ C40 H43 N17 O29, db=0.00, overall=45.25, mfg=90.49 ]", ""}}, 
   {448.282, 13.787056, "Meta"} -> {{48503, 45766, 59749}, 
     {" [ C21 H41 Cl N4 O4, db=0.00, overall=36.04, mfg=72.08 ]", ""}}, 
   {505.2254, 13.789305, "Meta"} -> {{26927, 23022, 21034}, 
     {" [ C26 H31 N7 O2 S, db=0.00, overall=42.23, mfg=84.45 ]", ""}}, 
   {1249.2404, 13.787362, "Meta"} -> {{41619, 40828, 42304}, 
     {" [ C42 H43 N17 O29, db=0.00, overall=46.87, mfg=93.75 ]", ""}}, 
   {300.2665, 13.789972, "Meta"} -> {{81839, 81508, 85069}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=96.07, overall=96.48, \
mfg=96.89, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {632.4804, 13.791441, "Meta"} -> {{405726, 435463, 394276}, 
     {" [ C42 H64 O4, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {304.2397, 13.791698, "Meta"} -> {{1.93*^7, 2.01*^7, 1}, 
     {"4Z,7Z,10Z,13Z-eicosatetraenoic acid [ C20 H32 O2, db=98.27, \
overall=96.01, mfg=98.63, Lipid ID=, KEGG ID= ]", ""}}, 
   {1350.9655, 13.792129, "Meta"} -> {{231414, 244573, 228470}, 
     {" [ C58 H118 N28 O9, db=0.00, overall=47.47, mfg=94.93 ]", ""}}, 
   {944.6397, 13.79625, "Meta"} -> {{27839, 23046, 15871}, 
     {" [ C50 H93 Cl N4 O8 S, db=0.00, overall=45.86, mfg=91.71 ]", ""}}, 
   {827.6039, 13.794558, "Meta"} -> {{639772, 675424, 644876}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=49.11, mfg=98.23 ]", ""}}, 
   {328.2396, 13.795916, "Meta"} -> {{7435740, 7768554, 7328010}, 
     {"3,9,15-Docosatriynoic acid [ C22 H32 O2, db=95.77, overall=97.45, \
mfg=97.21, Lipid ID=, KEGG ID= ]", ""}}, {654.4621, 13.796306, "Meta"} -> 
    {{33762, 32331, 28434}, {"", ""}}, {1374.9648, 13.7981, "Meta"} -> 
    {{102736, 107452, 100118}, 
     {" [ C60 H118 N28 O9, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {678.4623, 13.799917, "Meta"} -> {{1, 1, 1}, 
     {" [ C42 H58 N6 O2, db=0.00, overall=42.93, mfg=85.86 ]", ""}}, 
   {584.4804, 13.80086, "Meta"} -> {{214682, 253411, 239656}, 
     {" [ C38 H64 O4, db=0.00, overall=49.85, mfg=99.69 ]", ""}}, 
   {630.4622, 13.79975, "Meta"} -> {{59298, 66291, 56225}, 
     {" [ C38 H58 N6 O2, db=0.00, overall=36.05, mfg=72.10 ]", ""}}, 
   {851.6033, 13.800555, "Meta"} -> {{276652, 303466, 293604}, 
     {" [ C50 H81 N3 O8, db=0.00, overall=49.13, mfg=98.25 ]", ""}}, 
   {340.2171, 13.800804, "Meta"} -> {{64978, 75056, 57721}, 
     {" [ C20 H33 Cl O2, db=0.00, overall=49.21, mfg=98.42 ]", ""}}, 
   {664.5448, 13.808543, "Meta"} -> {{14495, 16146, 22231}, 
     {" [ C37 H72 N6 O2 S, db=0.00, overall=48.68, mfg=97.35 ]", ""}}, 
   {694.5559, 13.808, "Meta"} -> {{138818, 94747, 97663}, 
     {"1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-g\
lycerol [ C45 H74 O5, db=90.28, overall=90.44, mfg=90.61, KEGG ID=, CAS ID= \
]", ""}}, {364.2172, 13.803227, "Meta"} -> {{37544, 42637, 42760}, 
     {" [ C22 H33 Cl O2, db=0.00, overall=47.92, mfg=95.84 ]", ""}}, 
   {744.5711, 13.810126, "Meta"} -> {{24386, 17239, 21772}, 
     {" [ C42 H84 N2 O2 S3, db=0.00, overall=43.29, mfg=86.59 ]", ""}}, 
   {606.462, 13.807056, "Meta"} -> {{69519, 69385, 67428}, 
     {" [ C36 H58 N6 O2, db=0.00, overall=36.70, mfg=73.41 ]", ""}}, 
   {684.5328, 13.8134575, "Meta"} -> {{49633, 45589, 46815}, 
     {" [ C44 H76 O S2, db=0.00, overall=41.64, mfg=83.28 ]", ""}}, 
   {660.5324, 13.818041, "Meta"} -> {{205589, 173190, 200328}, 
     {" [ C41 H72 O6, db=0.00, overall=48.00, mfg=96.01 ]", ""}}, 
   {316.2171, 13.818916, "Meta"} -> {{71264, 87070, 66236}, 
     {" [ C18 H33 Cl O2, db=0.00, overall=48.79, mfg=97.58 ]", ""}}, 
   {1326.9664, 13.815225, "Meta"} -> {{572790, 573787, 562836}, 
     {" [ C56 H118 N28 O9, db=0.00, overall=47.26, mfg=94.52 ]", ""}}, 
   {803.6043, 13.817804, "Meta"} -> {{1539658, 1582133, 1533442}, 
     {" [ C47 H77 N7 O4, db=0.00, overall=48.40, mfg=96.80 ]", ""}}, 
   {720.5724, 13.82384, "Meta"} -> {{1628565, 1310015, 1622217}, 
     {"1-(10Z,13Z,16Z-docosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)\
-sn-glycerol [ C47 H76 O5, db=87.59, overall=87.77, mfg=87.96, KEGG ID=, CAS \
ID= ]", ""}}, {1201.2408, 13.825529, "Meta"} -> {{165615, 159373, 156921}, 
     {" [ C40 H35 N25 O21, db=0.00, overall=41.92, mfg=83.84 ]", ""}}, 
   {1076.8636, 13.825292, "Meta"} -> {{79457, 55582, 73068}, 
     {" [ C54 H108 N16 O6, db=0.00, overall=49.23, mfg=98.47 ]", ""}}, 
   {582.462, 13.826484, "Meta"} -> {{1, 1, 1}, 
     {" [ C33 H63 Cl N4 O2, db=0.00, overall=33.31, mfg=66.63 ]", ""}}, 
   {1022.7934, 13.827126, "Meta"} -> {{16046, 13194, 13124}, 
     {" [ C49 H94 N22 O2, db=0.00, overall=46.60, mfg=93.19 ]", ""}}, 
   {995.6122, 13.819358, "Meta"} -> {{36962, 36512, 26333}, 
     {" [ C54 H89 N7 O4 S3, db=0.00, overall=43.13, mfg=86.27 ]", ""}}, 
   {636.5323, 13.829361, "Meta"} -> {{2527646, 2119177, 2348660}, 
     {" [ C39 H72 O6, db=0.00, overall=49.59, mfg=99.19 ]", ""}}, 
   {726.564, 13.827267, "Meta"} -> {{159461, 153459, 158546}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=69.60, overall=69.56, mfg=69.52, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {472.2494, 13.829116, "Meta"} -> 
    {{207921, 213383, 143009}, {"Sulfochenodeoxycholic acid [ C24 H40 O7 S, \
db=90.93, overall=92.21, mfg=93.49, KEGG ID=, CAS ID=128012-96-4 ]", 
      "128012-96-4"}}, {454.3106, 13.847518, "Meta"} -> 
    {{172175, 118161, 175896}, {"Coenzyme Q4 [ C29 H42 O4, db=53.90, \
overall=54.22, mfg=54.54, KEGG ID=, CAS ID=4370-62-1 ]", "4370-62-1"}}, 
   {416.3141, 13.83572, "Meta"} -> {{2022498, 1546623, 1913513}, 
     {" [ C24 H48 O S2, db=0.00, overall=48.04, mfg=96.09 ]", ""}}, 
   {484.3193, 13.8318815, "Meta"} -> {{85040, 63432, 102512}, 
     {" [ C25 H45 Cl N4 O3, db=0.00, overall=35.04, mfg=70.09 ]", ""}}, 
   {392.27, 13.834961, "Meta"} -> {{501985, 391781, 404247}, 
     {" [ C21 H41 Cl O4, db=0.00, overall=45.74, mfg=91.48 ]", ""}}, 
   {481.2253, 13.827519, "Meta"} -> {{1, 51811, 47346}, 
     {" [ C32 H27 N5, db=0.00, overall=35.10, mfg=70.20 ]", ""}}, 
   {362.2436, 13.842117, "Meta"} -> {{70804, 51494, 52141}, 
     {"1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 [ C22 H34 O4, db=73.68, \
overall=73.68, mfg=73.67, Lipid ID=LMFA03010159, KEGG ID= ]", ""}}, 
   {394.3081, 13.836455, "Meta"} -> {{136164, 165542, 150120}, 
     {"5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol [ C24 H42 O4, db=89.31, \
overall=90.53, mfg=91.75, Lipid ID=, KEGG ID= ]", ""}}, 
   {643.4039, 13.831321, "Meta"} -> {{40659, 38780, 34816}, 
     {" [ C41 H57 N O3 S, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {885.6064, 13.838924, "Meta"} -> {{55943, 51632, 49991}, 
     {" [ C47 H75 N13 O4, db=0.00, overall=48.07, mfg=96.14 ]", ""}}, 
   {292.2399, 13.844878, "Meta"} -> {{68055, 86619, 1}, 
     {"3b,17a-Dihydroxy-5a-androstane [ C19 H32 O2, db=71.78, overall=71.73, \
mfg=75.98, HMP ID=HMDB00412, KEGG ID= ]", ""}}, 
   {342.2586, 13.83847, "Meta"} -> {{1410616, 1421808, 1348278}, 
     {" [ C20 H38 O2 S, db=0.00, overall=47.24, mfg=94.48 ]", ""}}, 
   {486.3917, 13.84523, "Meta"} -> {{168112, 192766, 147868}, 
     {" [ C28 H54 O6, db=0.00, overall=48.54, mfg=97.09 ]", ""}}, 
   {470.3042, 13.841001, "Meta"} -> {{186264, 181753, 205891}, 
     {" [ C22 H42 N6 O3 S, overall=42.68, mfg=85.36 ]", ""}}, 
   {1106.7476, 13.850359, "Meta"} -> {{1, 443537, 481217}, 
     {" [ C52 H98 N16 O8 S, db=0.00, overall=48.90, mfg=97.81 ]", ""}}, 
   {583.3853, 13.854115, "Meta"} -> {{1, 1, 1}, 
     {" [ C24 H49 N13 O2 S, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {400.2811, 13.844029, "Meta"} -> {{167217, 176602, 198385}, 
     {"Ile Arg Ile [ C18 H36 N6 O4, db=82.76, overall=82.96, mfg=83.16 ]", 
      ""}}, {570.4621, 13.860414, "Meta"} -> 
    {{1, 1, 1}, {" [ C28 H59 Cl N10, db=0.00, overall=33.98, mfg=67.95 ]", 
      ""}}, {791.6036, 13.861483, "Meta"} -> {{79681, 72706, 74334}, 
     {" [ C45 H81 N3 O8, db=0.00, overall=48.18, mfg=96.35 ]", ""}}, 
   {548.4803, 13.860971, "Meta"} -> {{120886, 139989, 135434}, 
     {" [ C35 H64 O4, db=0.00, overall=49.59, mfg=99.17 ]", ""}}, 
   {390.245, 13.848915, "Meta"} -> {{62560, 58810, 51963}, 
     {" [ C23 H35 Cl N2 O, db=0.00, overall=41.26, mfg=82.52 ]", ""}}, 
   {330.2576, 13.868257, "Meta"} -> {{196988, 209800, 181668}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=84.72, \
overall=84.75, mfg=84.78, Lipid ID=, KEGG ID= ]", ""}}, 
   {580.232, 13.869556, "Meta"} -> {{75821, 76147, 197969}, {"", ""}}, 
   {807.4792, 13.865001, "Meta"} -> {{55631, 66640, 43998}, 
     {" [ C45 H61 N9 O5, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {268.2407, 13.812778, "Meta"} -> {{2061548, 15133, 2094906}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=98.56, overall=94.95, \
mfg=98.69, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {284.1164, 13.867222, "Meta"} -> {{1007709, 1109256, 722557}, 
     {" [ C16 H16 N2 O3, db=0.00, overall=49.81, mfg=99.62 ]", ""}}, 
   {546.3767, 13.844028, "Meta"} -> {{30911, 30862, 27244}, 
     {" [ C36 H51 Cl N2, db=0.00, overall=37.44, mfg=74.89 ]", ""}}, 
   {314.1282, 13.868307, "Meta"} -> {{51631, 49808, 37501}, 
     {" [ C17 H19 Cl N4, db=0.00, overall=36.59, mfg=73.18 ]", ""}}, 
   {376.1634, 13.869549, "Meta"} -> {{30220, 46336, 29451}, 
     {" [ C20 H20 N6 O2, db=0.00, overall=40.60, mfg=81.19 ]", ""}}, 
   {386.2658, 13.858555, "Meta"} -> {{1942829, 1980050, 1966758}, 
     {"6-deoxyerythronolide B [ C21 H38 O6, db=94.77, overall=94.92, \
mfg=95.06, KEGG ID=, CAS ID= ]", ""}}, {624.5328, 13.868267, "Meta"} -> 
    {{601792, 551591, 549536}, 
     {" [ C38 H72 O6, db=0.00, overall=49.18, mfg=98.36 ]", ""}}, 
   {612.2584, 13.870605, "Meta"} -> {{52097, 70111, 38725}, 
     {" [ C35 H48 O S4, db=0.00, overall=43.56, mfg=87.13 ]", ""}}, 
   {536.2428, 13.868832, "Meta"} -> {{30824, 29037, 22456}, 
     {" [ C25 H40 N6 O S3, db=0.00, overall=37.13, mfg=74.26 ]", ""}}, 
   {616.2086, 13.8679695, "Meta"} -> {{23623, 35512, 21292}, 
     {" [ C33 H33 Cl N4 O6, db=0.00, overall=40.16, mfg=80.33 ]", ""}}, 
   {644.2843, 13.871276, "Meta"} -> {{256498, 323877, 180236}, 
     {" [ C35 H40 N4 O8, db=0.00, overall=48.17, mfg=96.33 ]", ""}}, 
   {672.2788, 13.871763, "Meta"} -> {{77552, 94454, 48938}, 
     {" [ C36 H48 O8 S2, db=0.00, overall=44.53, mfg=89.05 ]", ""}}, 
   {254.1418, 13.873967, "Meta"} -> {{49296, 66617, 39992}, 
     {" [ C16 H18 N2 O, db=0.00, overall=42.09, mfg=84.19 ]", ""}}, 
   {630.2688, 13.873001, "Meta"} -> {{63833, 78470, 43354}, 
     {" [ C34 H38 N4 O8, db=0.00, overall=46.12, mfg=46.44 ]", ""}}, 
   {600.2948, 13.874119, "Meta"} -> {{40925, 47509, 34353}, 
     {" [ C35 H44 N4 O S2, db=0.00, overall=40.31, mfg=80.62 ]", ""}}, 
   {374.2658, 13.874061, "Meta"} -> {{256338, 248688, 244320}, 
     {" [ C17 H30 N10, db=0.00, overall=46.20, mfg=92.41 ]", ""}}, 
   {438.3346, 13.865233, "Meta"} -> {{307390, 316851, 296640}, 
     {"27-nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=76.63, \
overall=77.10, mfg=77.58, HMP ID=HMDB02126, KEGG ID= ]", ""}}, 
   {406.3094, 13.849786, "Meta"} -> {{53427, 1, 48349}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=59.91, \
overall=60.10, mfg=60.29, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {370.2534, 13.856559, "Meta"} -> {{1, 1, 28677}, 
     {"(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid [ C24 H34 O3, \
db=52.75, overall=53.05, mfg=53.35, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.1319, 13.873515, "Meta"} -> {{120497, 141279, 77540}, 
     {" [ C17 H18 N2 O3, db=0.00, overall=48.57, mfg=97.13 ]", ""}}, 
   {390.1791, 13.870808, "Meta"} -> {{28408, 35191, 23888}, 
     {" [ C21 H30 N2 O S2, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {328.143, 13.873572, "Meta"} -> {{29124, 32656, 1}, 
     {"Phe Tyr [ C18 H20 N2 O4, db=77.95, overall=78.51, mfg=79.08 ]", ""}}, 
   {418.3083, 13.87791, "Meta"} -> {{271306, 305620, 223132}, 
     {"(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / \
(24S)-1alpha,24-dihydroxy-22-oxacholecalciferol [ C26 H42 O4, db=63.96, \
overall=65.19, mfg=66.42, Lipid ID=LMST03020058, KEGG ID= ]", ""}}, 
   {532.3722, 13.878038, "Meta"} -> {{66407, 71512, 83870}, 
     {" [ C19 H45 Cl N16, db=0.00, overall=31.60, mfg=63.20 ]", ""}}, 
   {1045.5533, 13.885082, "Meta"} -> {{36617, 40807, 34170}, 
     {" [ C57 H80 Cl N5 O11, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {510.3915, 13.887614, "Meta"} -> {{313993, 374988, 288313}, 
     {" [ C30 H54 O6, overall=43.28, mfg=86.56 ]", ""}}, 
   {254.2247, 13.888029, "Meta"} -> {{87750, 90837, 97684}, 
     {"7-palmitoleic acid [ C16 H30 O2, db=86.51, overall=86.52, mfg=86.53, \
Lipid ID=LMFA01030055, KEGG ID= ]", ""}}, {1132.7625, 13.894043, "Meta"} -> 
    {{64022, 53728, 66275}, 
     {" [ C54 H108 N12 O7 S3, db=0.00, overall=46.13, mfg=92.26 ]", ""}}, 
   {450.3339, 13.861599, "Meta"} -> {{64177, 47541, 33057}, 
     {"3beta,7alpha,12alpha-Trihydroxy-5alpha-cholestan-26-oic acid [ C27 H46 \
O5, db=66.59, overall=66.88, mfg=67.17, Lipid ID=, KEGG ID= ]", ""}}, 
   {552.4012, 13.899415, "Meta"} -> {{42654, 54797, 41572}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=54.01, overall=27.00, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {665.3879, 13.8886795, "Meta"} -> 
    {{121728, 1, 117427}, 
     {" [ C26 H59 N5 O12 S, db=0.00, overall=41.86, mfg=83.72 ]", ""}}, 
   {988.6852, 13.895306, "Meta"} -> {{140878, 140828, 176782}, 
     {" [ C57 H96 O13, db=0.00, overall=47.31, mfg=94.63 ]", ""}}, 
   {398.213, 13.891722, "Meta"} -> {{58587, 58784, 45053}, 
     {"Pregnanolone sulfate [ C21 H34 O5 S, db=69.72, overall=69.92, \
mfg=70.12, KEGG ID=, CAS ID=1477-67-4 ]", "1477-67-4"}}, 
   {465.3225, 13.897028, "Meta"} -> {{1186119, 1227381, 1399903}, 
     {" [ C26 H39 N7 O, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {484.3761, 13.902438, "Meta"} -> {{81805, 116229, 85597}, 
     {" [ C28 H53 Cl N2 O2, db=0.00, overall=31.34, mfg=62.69 ]", ""}}, 
   {609.4003, 13.903632, "Meta"} -> {{273967, 242959, 264202}, 
     {" [ C26 H59 N9 O S3, db=0.00, overall=40.80, mfg=81.60 ]", ""}}, 
   {470.396, 13.912945, "Meta"} -> {{68838, 80541, 68556}, 
     {" [ C32 H54 S, db=0.00, overall=46.36, mfg=92.72 ]", ""}}, 
   {400.2285, 13.902555, "Meta"} -> {{137250, 151912, 127624}, 
     {"3,7,12-Trioxochol-4-en-24-oic Acid [ C24 H32 O5, db=61.38, \
overall=62.50, mfg=63.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {686.5486, 13.904751, "Meta"} -> {{15891, 15269, 14232}, 
     {" [ C43 H74 O6, db=0.00, overall=44.66, mfg=89.32 ]", ""}}, 
   {466.3645, 13.910767, "Meta"} -> {{452263, 696830, 507832}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=60.76, overall=62.26, \
mfg=46.90, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {497.3479, 13.908543, "Meta"} -> {{63483, 60104, 69443}, 
     {" [ C27 H43 N7 O2, db=0.00, overall=45.57, mfg=91.14 ]", ""}}, 
   {326.282, 13.9078, "Meta"} -> {{44190, 38660, 42577}, 
     {"14R-hydroxy-11Z-eicosenoic acid [ C20 H38 O3, db=66.21, overall=66.50, \
mfg=66.78, Lipid ID=, KEGG ID= ]", ""}}, {547.3251, 13.905644, "Meta"} -> 
    {{35702, 1, 44902}, 
     {" [ C38 H45 N S, db=0.00, overall=34.88, mfg=69.75 ]", ""}}, 
   {436.3164, 13.907481, "Meta"} -> {{23431, 25299, 19025}, 
     {"4,4-difluoro-1alpha-hydroxyvitamin D3 / \
4,4-difluoro-1alpha-hydroxycholecalciferol [ C27 H42 F2 O2, db=74.75, \
overall=37.38, Lipid ID=LMST03020138, KEGG ID= ]", ""}}, 
   {462.3342, 13.925813, "Meta"} -> {{200291, 239227, 197896}, 
     {"3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic \
acid [ C28 H46 O5, db=75.82, overall=76.00, mfg=76.18, Lipid ID=, KEGG ID= ]"\
, ""}}, {442.3102, 13.919059, "Meta"} -> {{108588, 137450, 96703}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitami\
n D3 / (22S)-1alpha,22,25-trih [ C28 H42 O4, db=59.74, overall=29.87, Lipid \
ID=LMST03020315, KEGG ID= ]", ""}}, {432.3239, 13.926639, "Meta"} -> 
    {{434345, 439198, 407548}, {"1alpha,18,25-trihydroxyvitamin D_3 / \
1alpha,18,25-trihydroxycholecalciferol [ C27 H44 O4, db=95.15, overall=95.84, \
mfg=96.53, Lipid ID=LMST03020289, KEGG ID= ]", ""}}, 
   {380.2699, 13.927199, "Meta"} -> {{411735, 378921, 327520}, 
     {" [ C21 H37 Cl N4, db=0.00, overall=48.91, mfg=97.81 ]", ""}}, 
   {404.3142, 13.926455, "Meta"} -> {{1595251, 1470088, 1319399}, 
     {" [ C23 H48 O S2, db=0.00, overall=45.03, mfg=90.07 ]", ""}}, 
   {452.3499, 13.929694, "Meta"} -> {{91776, 176685, 88484}, 
     {"5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol [ C27 H48 O5, \
db=70.13, overall=70.71, mfg=71.29, Lipid ID=, KEGG ID= ]", ""}}, 
   {458.3045, 13.929281, "Meta"} -> {{226381, 223624, 247539}, 
     {"Arg Arg Lys [ C18 H38 N10 O4, db=49.42, overall=50.89, mfg=52.35 ]", 
      ""}}, {436.2816, 13.935585, "Meta"} -> {{106004, 107333, 107028}, 
     {"Simvastatin acid [ C25 H40 O6, db=94.26, overall=94.76, mfg=95.26, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {362.2657, 13.939345, "Meta"} -> {{556190, 636356, 561964}, 
     {" [ C16 H30 N10, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {696.5716, 13.935792, "Meta"} -> {{350352, 301038, 260668}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=89.24, overall=89.53, mfg=89.82, KEGG ID=, CAS ID= ]", ""}}, 
   {600.5332, 13.940265, "Meta"} -> {{1351170, 1259389, 1141638}, 
     {" [ C36 H72 O6, db=0.00, overall=49.92, mfg=99.85 ]", ""}}, 
   {330.2559, 13.944638, "Meta"} -> {{1662613, 1882225, 1814703}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=99.06, \
overall=82.49, mfg=99.33, Lipid ID=, KEGG ID= ]", ""}}, 
   {499.2967, 13.937487, "Meta"} -> {{791651, 854554, 718245}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=89.43, overall=90.44, \
mfg=91.44, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {853.6196, 13.9503355, "Meta"} -> {{69372, 73358, 73512}, 
     {" [ C44 H87 N9 O S3, db=0.00, overall=44.49, mfg=88.99 ]", ""}}, 
   {608.4768, 13.958805, "Meta"} -> {{56430, 80492, 61205}, 
     {" [ C30 H65 Cl N6 O4, db=0.00, overall=30.68, mfg=61.35 ]", ""}}, 
   {779.6037, 13.962242, "Meta"} -> {{585596, 567451, 599989}, 
     {" [ C44 H81 N3 O8, db=0.00, overall=48.31, mfg=96.62 ]", ""}}, 
   {892.5378, 13.966167, "Meta"} -> {{26903, 27129, 23699}, 
     {" [ C55 H64 N12, overall=46.00, mfg=91.99 ]", ""}}, 
   {300.2666, 13.965694, "Meta"} -> {{306854, 334005, 359647}, 
     {"DL-11-hydroxy stearic acid [ C18 H36 O3, db=98.93, overall=98.94, \
mfg=98.96, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {1057.8243, 13.964917, "Meta"} -> {{43651, 43519, 46208}, 
     {" [ C51 H107 N15 O6 S, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {881.655, 13.9734535, "Meta"} -> {{45273, 1, 1}, 
     {" [ C53 H84 Cl N9, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {292.217, 13.970612, "Meta"} -> {{116316, 131227, 136363}, 
     {" [ C16 H33 Cl O2, db=0.00, overall=49.59, mfg=99.18 ]", ""}}, 
   {457.2262, 13.972498, "Meta"} -> {{1, 50161, 55981}, 
     {" [ C22 H39 N3 O S3, db=0.00, overall=39.31, mfg=78.62 ]", ""}}, 
   {356.1657, 13.9714985, "Meta"} -> {{21184, 14970, 1}, 
     {" [ C19 H32 S3, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {812.6841, 13.971945, "Meta"} -> {{63765, 65808, 66041}, 
     {"1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C52 \
H92 O6, db=76.43, overall=76.32, mfg=76.21, KEGG ID=, CAS ID= ]", ""}}, 
   {534.4625, 13.970278, "Meta"} -> {{503853, 500391, 497825}, 
     {" [ C30 H58 N6 O2, db=0.00, overall=36.30, mfg=72.61 ]", ""}}, 
   {256.2398, 13.972058, "Meta"} -> {{4.64*^7, 4.75*^7, 4.83*^7}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=98.55, overall=98.69, \
mfg=98.57, Lipid ID=, KEGG ID= ]", ""}}, {626.4937, 13.971446, "Meta"} -> 
    {{50235, 52714, 64963}, {"1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-ei\
cosatetraenoyl)-sn-glycerol [ C40 H66 O5, db=68.64, overall=70.35, mfg=72.07, \
KEGG ID=, CAS ID= ]", ""}}, {806.665, 13.970205, "Meta"} -> 
    {{64598, 61341, 62980}, 
     {" [ C50 H94 O3 S2, db=0.00, overall=39.36, mfg=78.71 ]", ""}}, 
   {751.5727, 13.971747, "Meta"} -> {{70613, 57333, 62414}, 
     {" [ C43 H81 N3 O3 S2, db=0.00, overall=47.43, mfg=94.86 ]", ""}}, 
   {904.714, 13.970834, "Meta"} -> {{10780, 17054, 13681}, 
     {" [ C47 H92 N12 O3 S, db=0.00, overall=38.53, mfg=77.06 ]", ""}}, 
   {595.4029, 13.970554, "Meta"} -> {{79544, 61240, 46560}, 
     {" [ C33 H53 N7 O S, db=0.00, overall=45.15, mfg=90.30 ]", ""}}, 
   {1077.8715, 13.971779, "Meta"} -> {{45799, 33324, 29445}, 
     {" [ C60 H111 N13 O2 S, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {1177.2408, 13.974416, "Meta"} -> {{171370, 163375, 171220}, 
     {" [ C43 H51 N7 O30 S, db=0.00, overall=40.53, mfg=81.06 ]", ""}}, 
   {556.4883, 13.972171, "Meta"} -> {{29783, 32253, 1}, 
     {" [ C34 H68 O3 S, db=0.00, overall=41.79, mfg=83.58 ]", ""}}, 
   {670.5003, 13.972884, "Meta"} -> {{19995, 24204, 25940}, 
     {" [ C28 H62 N16 O S, db=0.00, overall=45.47, mfg=90.93 ]", ""}}, 
   {640.5085, 13.970961, "Meta"} -> {{19985, 23563, 25116}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=76.04, overall=77.57, mfg=79.10, KEGG ID=, CAS ID= ]", 
      ""}}, {470.3611, 13.978558, "Meta"} -> {{79534, 81779, 70832}, 
     {" [ C28 H54 O S2, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {352.2282, 13.97437, "Meta"} -> {{122783, 110164, 108207}, 
     {" [ C20 H33 Cl N2 O, overall=43.06, mfg=86.13 ]", ""}}, 
   {338.2434, 13.976111, "Meta"} -> {{261208, 255441, 250044}, 
     {"(+/-)14,15-DiHETrE [ C20 H34 O4, db=86.60, overall=65.83, mfg=86.62, \
KEGG ID=, CAS ID= ]", ""}}, {390.2602, 13.973645, "Meta"} -> 
    {{1, 56633, 53823}, 
     {" [ C17 H38 N6 S2, db=0.00, overall=37.33, mfg=74.66 ]", ""}}, 
   {318.2587, 13.975694, "Meta"} -> {{3287797, 3258553, 3121032}, 
     {"Allopregnanolone [ C21 H34 O2, db=72.31, overall=71.34, mfg=73.10, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {540.3795, 13.974909, "Meta"} -> 
    {{27169, 36572, 38544}, 
     {" [ C30 H56 N2 O2 S2, db=0.00, overall=39.87, mfg=79.75 ]", ""}}, 
   {432.2697, 13.976084, "Meta"} -> {{89242, 78865, 94586}, 
     {" [ C19 H40 N6 O S2, db=0.00, overall=42.20, mfg=84.40 ]", ""}}, 
   {461.22, 13.983537, "Meta"} -> {{35730, 23209, 1}, 
     {" [ C21 H39 N3 O2 S3, db=0.00, overall=40.11, mfg=80.23 ]", ""}}, 
   {414.2298, 13.987193, "Meta"} -> {{1, 41380, 35435}, 
     {"Trp Pro Leu [ C22 H30 N4 O4, db=53.35, overall=53.89, mfg=54.44 ]", 
      ""}}, {446.2854, 13.978155, "Meta"} -> {{36868, 39064, 49552}, 
     {" [ C20 H42 N6 O S2, db=0.00, overall=42.65, mfg=85.30 ]", ""}}, 
   {862.6995, 13.989635, "Meta"} -> {{1, 11880, 11637}, 
     {"1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z,12Z,15Z-o\
ctadecatrienoyl)-sn-glycerol [ C56 H94 O6, db=54.72, overall=56.65, \
mfg=58.59, KEGG ID=, CAS ID= ]", ""}}, {480.3455, 13.993833, "Meta"} -> 
    {{56813, 47807, 44874}, 
     {" [ C21 H49 Cl N8 S, overall=32.11, mfg=64.22 ]", ""}}, 
   {396.3237, 13.99129, "Meta"} -> {{1, 72776, 57513}, 
     {" [ C24 H44 O4, db=0.00, overall=33.79, mfg=67.58 ]", ""}}, 
   {584.4778, 13.991253, "Meta"} -> {{75953, 77171, 89408}, 
     {" [ C34 H60 N6 O2, db=0.00, overall=41.78, mfg=83.55 ]", ""}}, 
   {562.4958, 13.99225, "Meta"} -> {{66234, 74056, 77887}, 
     {" [ C36 H66 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {763.6085, 13.99125, "Meta"} -> {{153746, 139021, 153990}, 
     {" [ C37 H81 N9 O5 S, db=0.00, overall=48.09, mfg=96.17 ]", ""}}, 
   {829.6199, 13.993001, "Meta"} -> {{55453, 56750, 53461}, 
     {" [ C57 H83 N O S, db=0.00, overall=46.19, mfg=92.38 ]", ""}}, 
   {634.4934, 13.996407, "Meta"} -> {{8437, 9988, 15172}, 
     {" [ C34 H71 Cl N4 O2 S, db=0.00, overall=30.22, mfg=60.43 ]", ""}}, 
   {342.2336, 13.995725, "Meta"} -> {{55730, 1, 56367}, 
     {" [ C20 H35 Cl O2, db=0.00, overall=45.73, mfg=91.45 ]", ""}}, 
   {512.3491, 14.011219, "Meta"} -> {{90384, 43677, 45175}, 
     {" [ C24 H53 Cl N4 O3 S, overall=32.09, mfg=64.18 ]", ""}}, 
   {306.2553, 14.001057, "Meta"} -> {{4032648, 4336078, 4526997}, 
     {"ETrE(11Z, 14Z, 17Z) [ C20 H34 O2, db=96.66, overall=94.75, mfg=97.57, \
Lipid ID=LMFA01030378, KEGG ID= ]", ""}}, {526.4957, 14.00676, "Meta"} -> 
    {{16458, 17279, 15761}, 
     {" [ C33 H66 O4, db=0.00, overall=37.10, mfg=74.20 ]", ""}}, 
   {362.2657, 14.001, "Meta"} -> {{1107835, 994255, 1004784}, 
     {" [ C16 H30 N10, db=0.00, overall=47.20, mfg=94.41 ]", ""}}, 
   {567.3901, 14.013165, "Meta"} -> {{102586, 100866, 100033}, 
     {" [ C31 H49 N7 O3, overall=45.08, mfg=90.17 ]", ""}}, 
   {490.3658, 14.017134, "Meta"} -> {{890639, 334809, 283904}, 
     {"1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 / \
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)c [ C30 H50 O5, db=66.81, \
overall=33.41, Lipid ID=LMST03020478, KEGG ID= ]", ""}}, 
   {268.2404, 14.006146, "Meta"} -> {{94726, 90531, 94583}, 
     {"9-heptadecylenic acid [ C17 H32 O2, db=77.76, overall=78.43, \
mfg=79.10, Lipid ID=LMFA01030060, KEGG ID= ]", ""}}, 
   {412.2811, 14.012742, "Meta"} -> {{214877, 222190, 231798}, 
     {" [ C20 H32 N10, overall=47.04, mfg=94.07 ]", ""}}, 
   {408.3236, 13.979055, "Meta"} -> {{38806, 32578, 28794}, 
     {" [ C25 H44 O4, db=0.00, overall=37.89, mfg=75.77 ]", ""}}, 
   {368.2731, 14.011769, "Meta"} -> {{54351, 65140, 60710}, 
     {" [ C18 H36 N6 S, db=0.00, overall=44.04, mfg=88.08 ]", ""}}, 
   {406.308, 14.0145, "Meta"} -> {{40020, 46872, 38739}, 
     {"1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 / \
1alpha,25-dihydroxy-19-nor-22-oxacholecalciferol [ C25 H42 O4, db=79.12, \
overall=79.39, mfg=79.67, Lipid ID=LMST03020546, KEGG ID= ]", ""}}, 
   {330.2563, 14.015125, "Meta"} -> {{1126011, 1152540, 1265256}, 
     {"4,7,10,13,16-docosapentaenoic acid [ C22 H34 O2, db=98.37, \
overall=80.13, mfg=98.99, Lipid ID=, KEGG ID= ]", ""}}, 
   {436.2817, 14.018172, "Meta"} -> {{92854, 84832, 86745}, 
     {"Simvastatin acid [ C25 H40 O6, db=83.54, overall=84.44, mfg=85.33, \
KEGG ID=, CAS ID=121009-77-6 ]", "121009-77-6"}}, 
   {583.3848, 14.015918, "Meta"} -> {{236169, 242487, 194641}, 
     {" [ C31 H49 N7 O4, db=0.00, overall=47.69, mfg=95.38 ]", ""}}, 
   {658.5739, 14.022374, "Meta"} -> {{89353, 76556, 55602}, 
     {" [ C39 H78 O7, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {558.386, 14.044208, "Meta"} -> {{54147, 60793, 66020}, 
     {" [ C28 H55 Cl N6 O S, db=0.00, overall=35.52, mfg=71.04 ]", ""}}, 
   {444.3239, 14.019833, "Meta"} -> {{559427, 628844, 619921}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=70.54, \
overall=71.01, mfg=71.49, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {552.4019, 14.023033, "Meta"} -> {{21422, 1, 49307}, 
     {"GPCho(O-18:0/2:0[S]) [ C28 H59 N O7 P, db=56.60, overall=28.30, Lipid \
ID=LMGP01020095, KEGG ID= ]", ""}}, {597.4005, 14.024124, "Meta"} -> 
    {{76424, 74158, 72906}, 
     {" [ C32 H59 N3 O3 S2, db=0.00, overall=41.88, mfg=83.77 ]", ""}}, 
   {529.2714, 14.022335, "Meta"} -> {{119188, 135937, 98961}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=77.60, overall=78.65, mfg=89.38, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {738.6007, 14.027626, "Meta"} -> {{92363, 76556, 84520}, 
     {" [ C44 H82 O8, db=0.00, overall=48.28, mfg=96.55 ]", ""}}, 
   {688.5849, 14.027678, "Meta"} -> {{500078, 404604, 398529}, 
     {" [ C40 H80 O8, db=0.00, overall=49.60, mfg=99.21 ]", ""}}, 
   {294.2559, 14.030169, "Meta"} -> {{57130, 49715, 62121}, 
     {"Sterculic acid [ C19 H34 O2, db=97.86, overall=88.86, mfg=97.86, Lipid \
ID=LMFA01030190, KEGG ID= ]", ""}}, {428.2237, 14.031647, "Meta"} -> 
    {{30326, 35575, 31708}, 
     {" [ C23 H40 O S3, db=0.00, overall=41.06, mfg=82.12 ]", ""}}, 
   {614.5488, 14.036293, "Meta"} -> {{1206428, 1179113, 7526}, 
     {" [ C37 H74 O6, db=0.00, overall=48.60, mfg=97.20 ]", ""}}, 
   {1187.1556, 14.033093, "Meta"} -> {{35402, 16777, 24899}, 
     {" [ C40 H41 N11 O28 S2, db=0.00, overall=41.89, mfg=83.78 ]", ""}}, 
   {266.1554, 14.036055, "Meta"} -> {{1337935, 697619, 960321}, 
     {" [ C12 H26 O4 S, db=0.00, overall=49.57, mfg=99.14 ]", ""}}, 
   {438.3699, 14.036035, "Meta"} -> {{54984, 63412, 62669}, {"", ""}}, 
   {664.5639, 14.040082, "Meta"} -> {{123968, 131500, 132954}, 
     {" [ C41 H76 O6, db=0.00, overall=49.03, mfg=98.06 ]", ""}}, 
   {560.4774, 14.044205, "Meta"} -> {{26384, 26189, 28575}, 
     {" [ C32 H68 N2 O S2, db=0.00, overall=38.27, mfg=76.55 ]", ""}}, 
   {538.4961, 14.046194, "Meta"} -> {{156238, 155392, 169888}, 
     {" [ C34 H66 O4, db=0.00, overall=49.88, mfg=99.77 ]", ""}}, 
   {512.4075, 14.045722, "Meta"} -> {{290612, 351420, 295304}, 
     {" [ C30 H56 O6, db=0.00, overall=45.70, mfg=91.39 ]", ""}}, 
   {536.4073, 14.048287, "Meta"} -> {{265863, 347216, 262391}, 
     {"GPCho(O-18:0/O-2:1(1E)) [ C28 H59 N O6 P, db=60.65, overall=30.32, \
Lipid ID=LMGP01040056, KEGG ID= ]", ""}}, {798.6397, 14.048501, "Meta"} -> 
    {{200898, 169673, 160312}, 
     {" [ C39 H86 N6 O10, db=0.00, overall=48.80, mfg=97.59 ]", ""}}, 
   {394.2854, 14.0495615, "Meta"} -> {{1028737, 974795, 863205}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=52.63, \
overall=51.44, mfg=50.25, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {714.6011, 14.052836, "Meta"} -> {{604580, 531047, 513751}, 
     {" [ C42 H82 O8, db=0.00, overall=49.25, mfg=98.49 ]", ""}}, 
   {440.3505, 14.045791, "Meta"} -> {{311839, 410239, 461745}, 
     {" [ C26 H48 O5, db=0.00, overall=46.23, mfg=92.45 ]", ""}}, 
   {352.2615, 14.0554285, "Meta"} -> {{192971, 157677, 259407}, 
     {" [ C14 H36 N6 O2 S, db=0.00, overall=38.50, mfg=77.00 ]", ""}}, 
   {640.5631, 14.060153, "Meta"} -> {{5047581, 4839155, 4670955}, 
     {" [ C39 H76 O6, db=0.00, overall=48.88, mfg=97.75 ]", ""}}, 
   {789.6243, 14.065965, "Meta"} -> {{43209, 47778, 66696}, 
     {" [ C45 H88 Cl N O7, overall=33.90, mfg=67.79 ]", ""}}, 
   {486.3911, 14.0655, "Meta"} -> {{58205, 63354, 45646}, 
     {" [ C29 H58 O S2, db=0.00, overall=42.64, mfg=85.27 ]", ""}}, 
   {464.3504, 14.080249, "Meta"} -> {{916267, 861937, 751206}, 
     {"Trihydroxycoprostanoic acid [ C28 H48 O5, db=62.25, overall=62.37, \
mfg=62.49, HMP ID=HMDB02163, KEGG ID= ]", ""}}, 
   {388.2814, 14.070287, "Meta"} -> {{1154480, 1134875, 1080775}, 
     {" [ C18 H32 N10, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {805.6189, 14.079138, "Meta"} -> {{323117, 283217, 338272}, 
     {" [ C55 H83 N O S, db=0.00, overall=48.25, mfg=96.49 ]", ""}}, 
   {378.2436, 14.085913, "Meta"} -> {{121730, 106628, 105944}, 
     {" [ C22 H35 Cl N2 O, db=0.00, overall=45.77, mfg=91.54 ]", ""}}, 
   {647.4344, 14.0824175, "Meta"} -> {{67399, 48797, 37670}, 
     {" [ C44 H57 N O3, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {586.4938, 14.082388, "Meta"} -> {{760399, 743226, 804751}, 
     {" [ C34 H62 N6 O2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {318.2329, 14.083166, "Meta"} -> {{420166, 468411, 448306}, 
     {" [ C18 H35 Cl O2, db=0.00, overall=49.51, mfg=99.01 ]", ""}}, 
   {748.6685, 14.082943, "Meta"} -> {{17100, 17050, 16712}, 
     {" [ C46 H88 N2 O5, db=0.00, overall=47.10, mfg=94.20 ]", ""}}, 
   {382.1813, 14.082699, "Meta"} -> {{26239, 15770, 13342}, 
     {" [ C21 H34 S3, db=0.00, overall=37.70, mfg=75.40 ]", ""}}, 
   {416.2758, 14.085486, "Meta"} -> {{27692, 24216, 29470}, 
     {" [ C19 H40 N6 S2, db=0.00, overall=46.51, mfg=93.03 ]", ""}}, 
   {1194.9674, 14.083746, "Meta"} -> {{21444, 19806, 16924}, 
     {" [ C59 H9 N9 O20 S, db=0.00, overall=46.89, mfg=93.79 ]", ""}}, 
   {668.4966, 14.08575, "Meta"} -> {{51761, 51793, 51230}, 
     {" [ C49 H64 O, db=0.00, overall=46.38, mfg=92.75 ]", ""}}, 
   {890.7312, 14.083416, "Meta"} -> {{111442, 110624, 116212}, 
     {"TG(17:0/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H98 O6, \
db=78.52, overall=78.42, mfg=78.33, Lipid ID=LMGL03010554, KEGG ID= ]", ""}}, 
   {458.2855, 14.0865755, "Meta"} -> {{1, 1, 35744}, 
     {" [ C21 H42 N6 O S2, db=0.00, overall=47.38, mfg=94.76 ]", ""}}, 
   {282.2553, 14.085117, "Meta"} -> {{6.14*^7, 6.41*^7, 6.61*^7}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=98.58, overall=98.01, mfg=98.67, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {1181.934, 14.084191, "Meta"} -> 
    {{37584, 28891, 25581}, 
     {" [ C60 H115 N19 O5, db=0.00, overall=47.15, mfg=94.30 ]", ""}}, 
   {469.2258, 14.082832, "Meta"} -> {{1, 18729, 19701}, 
     {"Nefazodone [ C25 H32 Cl N5 O2, db=58.17, overall=59.78, mfg=61.40, \
KEGG ID=C07256, CAS ID=83366-66-9 ]", "83366-66-9"}}, 
   {803.5343, 14.0876, "Meta"} -> {{23156, 24412, 22631}, 
     {" [ C50 H77 N O3 S2, db=0.00, overall=44.23, mfg=88.46 ]", ""}}, 
   {486.3342, 14.084213, "Meta"} -> {{107096, 133659, 130495}, 
     {" [ C18 H47 Cl N10 O S, db=0.00, overall=35.97, mfg=71.94 ]", ""}}, 
   {662.4792, 14.088917, "Meta"} -> {{50456, 54575, 51837}, 
     {" [ C41 H58 N8, overall=45.15, mfg=90.29 ]", ""}}, 
   {692.5393, 14.085719, "Meta"} -> {{1, 8215, 1}, {"1-(5Z,8Z,11Z,14Z-eicosat\
etraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol [ C45 H72 O5, \
db=79.85, overall=81.31, mfg=82.76, KEGG ID=, CAS ID= ]", ""}}, 
   {1188.9512, 14.08425, "Meta"} -> {{30275, 27236, 26708}, 
     {" [ C58 H120 N22 S2, db=0.00, overall=47.48, mfg=94.95 ]", ""}}, 
   {516.381, 14.092125, "Meta"} -> {{115584, 138358, 122004}, {"", ""}}, 
   {422.2515, 14.0845995, "Meta"} -> {{18662, 16606, 17488}, 
     {"Lys Tyr Ile [ C21 H34 N4 O5, db=58.81, overall=58.27, mfg=57.73 ]", 
      ""}}, {608.5191, 14.086076, "Meta"} -> 
    {{1, 1, 1}, {" [ C27 H60 N16, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {884.7139, 14.085834, "Meta"} -> {{97777, 97243, 101354}, 
     {" [ C52 H100 O8 S, db=0.00, overall=48.99, mfg=97.99 ]", ""}}, 
   {416.1224, 14.086839, "Meta"} -> {{57010, 55992, 1}, 
     {" [ C17 H31 Cl3 N2 O S, db=0.00, overall=35.56, mfg=71.13 ]", ""}}, 
   {791.6401, 14.089868, "Meta"} -> {{260019, 247675, 303098}, 
     {" [ C47 H81 N7 O3, db=0.00, overall=48.75, mfg=97.50 ]", ""}}, 
   {402.2971, 14.090195, "Meta"} -> {{157229, 160109, 158867}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=80.44, overall=81.96, mfg=83.47 ]", 
      ""}}, {548.3934, 14.080667, "Meta"} -> {{19375, 32654, 1}, 
     {" [ C33 H57 Cl N2 S, db=0.00, overall=40.86, mfg=81.72 ]", ""}}, 
   {678.5235, 14.08614, "Meta"} -> {{12465, 14488, 16095}, 
     {" [ C37 H78 N2 O2 S3, db=0.00, overall=46.76, mfg=93.52 ]", ""}}, 
   {722.5306, 14.086859, "Meta"} -> {{8532, 1, 8526}, 
     {" [ C38 H78 N2 O6 S2, db=0.00, overall=43.68, mfg=87.36 ]", ""}}, 
   {777.5874, 14.084876, "Meta"} -> {{62873, 64324, 66710}, 
     {" [ C53 H79 N O S, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {392.2596, 14.086711, "Meta"} -> {{78813, 54425, 66872}, 
     {" [ C24 H32 N4 O, db=0.00, overall=36.78, mfg=73.55 ]", ""}}, 
   {1203.2563, 14.09025, "Meta"} -> {{192283, 188802, 202860}, 
     {" [ C40 H37 N25 O21, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {344.2742, 14.094111, "Meta"} -> {{2206463, 2158363, 2293938}, 
     {"(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 / \
(22S)-22-hydroxy-23,24,25,26,27-pentanorcholecalci [ C23 H36 O2, db=77.25, \
overall=77.66, mfg=78.08, Lipid ID=LMST03020016, KEGG ID= ]", ""}}, 
   {499.2968, 14.091447, "Meta"} -> {{1147393, 1255942, 1136361}, 
     {"Chenodeoxycholyltaurine [ C26 H45 N O6 S, db=99.06, overall=99.14, \
mfg=99.21, KEGG ID=, CAS ID=516-35-8 ]", "516-35-8"}}, 
   {900.6875, 14.086037, "Meta"} -> {{102858, 99267, 89128}, {"", ""}}, 
   {598.535, 14.095875, "Meta"} -> {{24091, 24448, 31715}, 
     {" [ C37 H74 O3 S, db=0.00, overall=47.83, mfg=95.66 ]", ""}}, 
   {930.8058, 14.094956, "Meta"} -> {{14298, 14361, 13040}, 
     {" [ C55 H106 N6 O3 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {364.2592, 14.095999, "Meta"} -> {{355101, 354368, 380065}, 
     {"11-deoxy-16,16-dimethyl-PGE2 [ C22 H36 O4, db=88.01, overall=88.00, \
mfg=88.00, KEGG ID=, CAS ID= ]", ""}}, {442.3644, 14.103839, "Meta"} -> 
    {{58061, 65775, 1}, 
     {" [ C26 H50 O5, db=0.00, overall=36.38, mfg=72.76 ]", ""}}, 
   {487.2359, 14.097199, "Meta"} -> {{25652, 16667, 1}, 
     {" [ C31 H37 N S2, db=0.00, overall=43.20, mfg=86.39 ]", ""}}, 
   {569.4056, 14.112845, "Meta"} -> {{158848, 87425, 110878}, 
     {" [ C24 H51 N13 O S, db=0.00, overall=47.98, mfg=95.96 ]", ""}}, 
   {558.4485, 14.107911, "Meta"} -> {{28595, 27594, 33578}, 
     {" [ C36 H62 O2 S, db=0.00, overall=35.32, mfg=70.64 ]", ""}}, 
   {826.6331, 14.06771, "Meta"} -> {{27493, 21388, 52091}, 
     {" [ C38 H82 N16 S2, db=0.00, overall=40.65, mfg=81.30 ]", ""}}, 
   {466.3656, 14.129901, "Meta"} -> {{342510, 440517, 360390}, 
     {"6alpha-Hydroxycastasterone [ C28 H50 O5, db=61.84, overall=62.02, \
mfg=62.20, Lipid ID=LMST01030128, KEGG ID= ]", ""}}, 
   {398.3396, 14.093, "Meta"} -> {{23524, 28365, 66458}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=59.66, overall=29.83, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {496.3737, 14.120714, "Meta"} -> 
    {{21668, 1, 1}, {" [ C24 H53 Cl N4 O4, overall=35.44, mfg=70.88 ]", ""}}, 
   {552.5117, 14.12462, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H68 O4, db=0.00, overall=49.31, mfg=98.62 ]", ""}}, 
   {444.3239, 14.124374, "Meta"} -> {{396077, 408882, 399832}, 
     {"(24R)-1alpha,24,25-trihydroxyvitamin D2 / \
(24R)-1alpha,24,25-trihydroxyergocalciferol [ C28 H44 O4, db=79.98, \
overall=80.07, mfg=80.16, Lipid ID=LMST03010051, KEGG ID= ]", ""}}, 
   {270.2559, 14.017653, "Meta"} -> {{54033, 53532, 49023}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=86.00, overall=86.10, \
mfg=86.20, Lipid ID=, KEGG ID= ]", ""}}, {484.376, 14.136464, "Meta"} -> 
    {{1, 1, 1}, {" [ C29 H56 O S2, db=0.00, overall=41.78, mfg=83.56 ]", 
      ""}}, {356.2722, 14.132971, "Meta"} -> {{40359, 43035, 1}, 
     {"4,8,12,15,19,21-tetracosahexaenoic acid [ C24 H36 O2, db=76.53, \
overall=78.00, mfg=79.48, Lipid ID=, KEGG ID= ]", ""}}, 
   {514.4227, 14.136388, "Meta"} -> {{57242, 111775, 52360}, 
     {" [ C34 H58 O S, db=0.00, overall=45.48, mfg=90.92 ]", ""}}, 
   {640.5632, 14.14011, "Meta"} -> {{9829640, 9986991, 9553128}, 
     {" [ C39 H76 O6, db=0.00, overall=49.50, mfg=98.99 ]", ""}}, 
   {370.3449, 14.142195, "Meta"} -> {{98611, 105299, 101351}, 
     {"2-hydroxy-tricosanoic acid [ C23 H46 O3, db=99.49, overall=99.50, \
mfg=99.52, Lipid ID=, KEGG ID= ]", ""}}, {458.2336, 14.141079, "Meta"} -> 
    {{378492, 253096, 181891}, 
     {" [ C23 H38 O7 S, db=0.00, overall=44.58, mfg=89.16 ]", ""}}, 
   {328.2979, 14.143391, "Meta"} -> {{106872, 171103, 150366}, 
     {"3-hydroxy-eicosanoic acid [ C20 H40 O3, db=98.26, overall=98.30, \
mfg=98.33, Lipid ID=, KEGG ID= ]", ""}}, {1082.9127, 14.140876, "Meta"} -> 
    {{2637379, 2321169, 2201300}, 
     {" [ C55 H110 N20 O2, db=0.00, overall=49.37, mfg=98.75 ]", ""}}, 
   {724.6022, 14.142641, "Meta"} -> {{2.36*^7, 2.26*^7, 2.08*^7}, 
     {"1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C47 H80 O5, db=86.14, overall=86.40, mfg=86.65, KEGG ID=, CAS ID= ]", ""}}, 
   {554.4183, 14.137059, "Meta"} -> {{81671, 62099, 77969}, 
     {" [ C33 H54 N4 O3, db=0.00, overall=31.00, mfg=61.99 ]", ""}}, 
   {1471.1888, 14.141667, "Meta"} -> {{1196488, 1024955, 996447}, 
     {" [ C60 H37 N19 O26 S, db=0.00, overall=48.83, mfg=97.66 ]", ""}}, 
   {1152.9154, 14.142711, "Meta"} -> {{181428, 158780, 147587}, 
     {" [ C57 H7 N O28, db=0.00, overall=49.33, mfg=98.65 ]", ""}}, 
   {394.2852, 14.145388, "Meta"} -> {{4845074, 4825351, 4111957}, 
     {"25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 / \
25-hydroxy-16,17,23,23,24,24-hexadehydrocholeca [ C27 H38 O2, db=54.24, \
overall=53.27, mfg=52.30, Lipid ID=LMST03020091, KEGG ID= ]", ""}}, 
   {756.6288, 14.145209, "Meta"} -> {{57145, 46516, 54344}, 
     {" [ C42 H80 N10 S, db=0.00, overall=47.88, mfg=40.06 ]", ""}}, 
   {694.5924, 14.145, "Meta"} -> {{118311, 123209, 130096}, 
     {" [ C32 H70 N16 O, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {60.0216, 14.148041, "Meta"} -> {{613631, 979647, 814793}, 
     {"Glycolaldehyde [ C2 H4 O2, db=98.29, overall=49.15, KEGG ID=C00266, \
CAS ID=141-46-8 ]", "141-46-8"}}, {418.3289, 14.148055, "Meta"} -> 
    {{1.54*^7, 1.38*^7, 1.27*^7}, 
     {" [ C23 H46 O6, db=0.00, overall=47.02, mfg=94.04 ]", ""}}, 
   {1192.9233, 14.147458, "Meta"} -> {{62780, 68191, 60742}, 
     {" [ C59 H120 N18 O3 S2, db=0.00, overall=47.95, mfg=95.90 ]", ""}}, 
   {454.3658, 14.161718, "Meta"} -> {{86907, 122283, 1}, 
     {" [ C28 H54 S2, db=0.00, overall=41.53, mfg=83.07 ]", ""}}, 
   {456.3263, 14.155912, "Meta"} -> {{447096, 488057, 489829}, 
     {"(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a,24b-dihomo-20-epi\
vitamin D3 / (22S)-1alpha,22,2 [ C29 H44 O4, db=56.17, overall=45.74, \
mfg=56.92, Lipid ID=LMST03020400, KEGG ID= ]", ""}}, 
   {422.3396, 14.156001, "Meta"} -> {{735429, 886737, 805758}, 
     {" [ C26 H46 O4, db=0.00, overall=46.40, mfg=92.80 ]", ""}}, 
   {812.6219, 14.154434, "Meta"} -> {{222680, 216450, 68092}, 
     {" [ C39 H84 N6 O11, overall=46.15, mfg=92.29 ]", ""}}, 
   {690.5796, 14.155481, "Meta"} -> {{71950, 81230, 83530}, 
     {" [ C43 H78 O6, db=0.00, overall=48.12, mfg=96.23 ]", ""}}, 
   {636.5088, 14.156454, "Meta"} -> {{1, 1, 10639}, 
     {" [ C37 H68 N2 O6, db=0.00, overall=37.87, mfg=75.73 ]", ""}}, 
   {408.3238, 14.1582775, "Meta"} -> {{68345, 78751, 69967}, 
     {" [ C25 H44 O4, db=0.00, overall=40.74, mfg=81.48 ]", ""}}, 
   {332.2722, 14.165585, "Meta"} -> {{1332727, 1413315, 1498004}, 
     {"4,7,10,13-docosatetraenoic acid [ C22 H36 O2, db=98.62, overall=98.64, \
mfg=98.66, Lipid ID=, KEGG ID= ]", ""}}, {614.5475, 14.171072, "Meta"} -> 
    {{218042, 180182, 178343}, 
     {" [ C41 H74 O S, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {368.2477, 14.167957, "Meta"} -> {{1, 1, 1}, 
     {" [ C22 H37 Cl O2, db=0.00, overall=41.35, mfg=82.70 ]", ""}}, 
   {774.6368, 14.173362, "Meta"} -> {{279740, 294361, 250238}, 
     {" [ C48 H86 O7, overall=48.58, mfg=97.17 ]", ""}}, 
   {468.3218, 14.1615715, "Meta"} -> {{55184, 87934, 95761}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=50.75, overall=55.51, \
mfg=56.82, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {876.6863, 14.169582, "Meta"} -> {{128307, 181766, 148925}, 
     {" [ C56 H93 Cl N2 O3, db=0.00, overall=42.23, mfg=84.46 ]", ""}}, 
   {826.634, 14.172916, "Meta"} -> {{31038, 33864, 36999}, 
     {" [ C44 H86 N6 O6 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {438.2957, 14.177313, "Meta"} -> {{142440, 136739, 130563}, 
     {" [ C21 H46 N2 O3 S2, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {398.3392, 14.178858, "Meta"} -> {{45951, 23927, 25089}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=61.51, overall=30.75, Lipid \
ID=LMFA01170039, KEGG ID= ]", ""}}, {698.5842, 14.179278, "Meta"} -> 
    {{19319, 19648, 20195}, {"1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(13Z-docos\
enoyl)-sn-glycerol [ C45 H78 O5, db=96.91, overall=96.94, mfg=96.98, KEGG \
ID=, CAS ID= ]", ""}}, {628.5648, 14.173613, "Meta"} -> 
    {{1734871, 1703011, 1747289}, 
     {" [ C38 H76 O6, db=0.00, overall=49.81, mfg=47.62 ]", ""}}, 
   {388.2813, 14.1705885, "Meta"} -> {{408099, 381902, 367838}, 
     {" [ C21 H40 O6, db=0.00, overall=45.13, mfg=90.26 ]", ""}}, 
   {416.3291, 14.185637, "Meta"} -> {{199557, 202039, 177217}, 
     {"1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydroxycholecalciferol [ \
C27 H44 O3, db=62.31, overall=60.57, mfg=63.16, Lipid ID=LMST03020254, KEGG \
ID= ]", ""}}, {478.3482, 14.1885, "Meta"} -> {{110321, 111665, 122940}, 
     {" [ C25 H50 O8, db=0.00, overall=39.41, mfg=78.83 ]", ""}}, 
   {486.3354, 14.177129, "Meta"} -> {{1, 73768, 61231}, 
     {" [ C31 H42 N4 O, db=0.00, overall=32.57, mfg=65.14 ]", ""}}, 
   {446.3398, 14.188916, "Meta"} -> {{5058865, 5625244, 4855735}, 
     {"1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / \
1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, db=90.94, \
overall=92.05, mfg=77.07, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {430.311, 14.174598, "Meta"} -> {{161660, 179730, 182530}, 
     {"1alpha,25-dihydroxy-24-oxovitamin D_3 / \
1alpha,25-dihydroxy-24-oxocholecalciferol [ C27 H42 O4, db=68.40, \
overall=68.37, mfg=68.33, Lipid ID=LMST03020186, KEGG ID= ]", ""}}, 
   {352.2594, 14.192552, "Meta"} -> {{38527, 38503, 39950}, 
     {" [ C17 H32 N6 O2, db=0.00, overall=46.97, mfg=93.94 ]", ""}}, 
   {270.2562, 14.191166, "Meta"} -> {{2592251, 2768205, 2985791}, 
     {"10-methyl-hexadecanoic acid [ C17 H34 O2, db=99.10, overall=98.10, \
mfg=99.13, Lipid ID=, KEGG ID= ]", ""}}, {434.267, 14.192781, "Meta"} -> 
    {{644717, 699213, 702479}, {"6'-Hydroxymethylsimvastatin [ C25 H38 O6, \
db=95.01, overall=74.57, mfg=96.13, KEGG ID=, CAS ID=114883-29-3 ]", 
      "114883-29-3"}}, {516.328, 14.181401, "Meta"} -> 
    {{138011, 130086, 114317}, 
     {" [ C34 H45 Cl N2, db=0.00, overall=39.42, mfg=78.83 ]", ""}}, 
   {498.4261, 14.1999655, "Meta"} -> {{21762, 28713, 1}, 
     {" [ C34 H58 S, db=0.00, overall=40.26, mfg=80.53 ]", ""}}, 
   {612.4958, 14.2129135, "Meta"} -> {{82264, 143968, 80934}, 
     {" [ C32 H65 Cl N8 O, db=0.00, overall=40.45, mfg=80.90 ]", ""}}, 
   {376.2813, 14.197583, "Meta"} -> {{318638, 281912, 275907}, 
     {" [ C21 H44 O S2, db=0.00, overall=42.30, mfg=84.60 ]", ""}}, 
   {529.2714, 14.199606, "Meta"} -> {{635526, 622762, 221991}, 
     {"Glycine, N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl [ C26 \
H43 N O8 S, db=83.80, overall=84.97, mfg=96.04, HMP ID=HMDB02469, KEGG ID= ]"\
, ""}}, {428.3865, 14.205336, "Meta"} -> {{22842, 24921, 21866}, 
     {" [ C26 H52 O4, db=0.00, overall=42.74, mfg=85.48 ]", ""}}, 
   {442.4022, 14.2051935, "Meta"} -> {{186592, 211093, 199280}, 
     {" [ C27 H54 O4, db=0.00, overall=49.63, mfg=99.26 ]", ""}}, 
   {548.3576, 14.194451, "Meta"} -> {{108629, 43343, 44623}, 
     {" [ C34 H54 Cl2 O, db=0.00, overall=31.57, mfg=63.15 ]", ""}}, 
   {440.3862, 14.209608, "Meta"} -> {{177816, 191283, 183374}, 
     {" [ C27 H52 O4, db=0.00, overall=40.02, mfg=80.04 ]", ""}}, 
   {560.3365, 14.183852, "Meta"} -> {{41475, 39675, 32606}, 
     {"Cucurbitacin C [ C32 H48 O8, db=68.82, overall=68.81, mfg=68.79, Lipid \
ID=LMST01010105, KEGG ID=C08795 ]", ""}}, {300.2664, 14.206481, "Meta"} -> 
    {{25551, 33276, 28289}, {"DL-11-hydroxy stearic acid [ C18 H36 O3, \
db=82.32, overall=82.36, mfg=82.41, Lipid ID=LMFA01050063, KEGG ID= ]", ""}}, 
   {472.3208, 14.183112, "Meta"} -> {{457552, 377871, 370943}, 
     {" [ C30 H48 S2, db=0.00, overall=43.21, mfg=86.42 ]", ""}}, 
   {510.3918, 14.20677, "Meta"} -> {{355801, 427210, 389688}, 
     {" [ C26 H51 Cl N8, overall=36.79, mfg=45.18 ]", ""}}, 
   {540.2924, 14.202267, "Meta"} -> {{52463, 55861, 54508}, 
     {" [ C28 H44 O10, db=0.00, overall=45.30, mfg=90.61 ]", ""}}, 
   {328.2615, 14.210027, "Meta"} -> {{291925, 249944, 407419}, 
     {" [ C19 H36 O4, db=0.00, overall=47.89, mfg=95.78 ]", ""}}, 
   {532.3754, 14.20955, "Meta"} -> {{56151, 64214, 50543}, {"", ""}}, 
   {280.2402, 14.207129, "Meta"} -> {{51515, 46632, 40936}, 
     {"13E,17-octadecadienoic acid [ C18 H32 O2, db=84.94, overall=85.00, \
mfg=85.06, Lipid ID=, KEGG ID= ]", ""}}, {514.4225, 14.210417, "Meta"} -> 
    {{78372, 96281, 68527}, 
     {" [ C27 H50 N10, db=0.00, overall=39.80, mfg=79.59 ]", ""}}, 
   {410.3395, 14.215173, "Meta"} -> {{98438, 108286, 96955}, 
     {" [ C25 H46 O4, db=0.00, overall=37.45, mfg=74.91 ]", ""}}, 
   {666.5796, 14.220374, "Meta"} -> {{150854, 142787, 156772}, 
     {" [ C41 H78 O6, db=0.00, overall=48.83, mfg=97.67 ]", ""}}, 
   {590.527, 14.223332, "Meta"} -> {{8961, 10694, 12142}, 
     {" [ C33 H71 Cl N4 O2, db=0.00, overall=34.65, mfg=69.29 ]", ""}}, 
   {460.3549, 14.23609, "Meta"} -> {{414439, 427720, 230923}, 
     {"1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 / \
1alpha,25-dihydroxy-26,27-dimethyl-24 [ C29 H48 O4, db=94.30, overall=95.29, \
mfg=96.28, Lipid ID=LMST03020430, KEGG ID= ]", ""}}, 
   {308.2719, 14.229669, "Meta"} -> {{1766678, 1889534, 2040312}, 
     {"5,11-Eicosadienoic acid [ C20 H36 O2, db=99.44, overall=91.09, \
mfg=99.45, Lipid ID=, KEGG ID= ]", ""}}, {370.2903, 14.230804, "Meta"} -> 
    {{84987, 113810, 101596}, 
     {" [ C22 H42 O2 S, db=0.00, overall=48.75, mfg=97.49 ]", ""}}, 
   {318.2577, 14.229366, "Meta"} -> {{56023, 62844, 44010}, 
     {"Allopregnanolone [ C21 H34 O2, db=71.59, overall=71.91, mfg=72.22, \
Lipid ID=LMST02030130, KEGG ID= ]", ""}}, {414.297, 14.233303, "Meta"} -> 
    {{243592, 260435, 264013}, 
     {" [ C20 H34 N10, db=0.00, overall=43.99, mfg=87.98 ]", ""}}, 
   {634.4268, 14.238879, "Meta"} -> {{33088, 36871, 43863}, 
     {" [ C40 H59 Cl N2 O2, db=0.00, overall=39.21, mfg=78.42 ]", ""}}, 
   {256.2402, 14.229889, "Meta"} -> {{288600, 222543, 297931}, 
     {"2-propyl-tridecanoic acid [ C16 H32 O2, db=99.07, overall=99.08, \
mfg=99.08, Lipid ID=, KEGG ID= ]", ""}}, {434.3396, 14.244434, "Meta"} -> 
    {{261737, 583900, 499139}, {"3alpha,7alpha-Dihydroxy-5beta-cholestan-26-o\
ic acid [ C27 H46 O4, db=70.52, overall=70.74, mfg=70.95, Lipid ID=, KEGG ID= \
]", ""}}, {350.282, 14.253435, "Meta"} -> {{13764, 14036, 18884}, 
     {" [ C15 H38 N6 O S, db=0.00, overall=34.49, mfg=68.99 ]", ""}}, 
   {480.3798, 14.25231, "Meta"} -> {{1, 92838, 93447}, 
     {" [ C24 H53 Cl N4 O3, db=0.00, overall=37.48, mfg=74.95 ]", ""}}, 
   {538.4226, 14.255195, "Meta"} -> {{7002904, 8522617, 7917951}, 
     {" [ C32 H59 Cl N2 O2, overall=33.30, mfg=66.59 ]", ""}}, 
   {516.3809, 14.242363, "Meta"} -> {{237125, 275895, 263402}, 
     {" [ C32 H52 O5, db=0.00, overall=38.55, mfg=77.09 ]", ""}}, 
   {642.4075, 14.259219, "Meta"} -> {{50315, 1, 41005}, 
     {" [ C33 H67 Cl O5 S2, db=0.00, overall=32.55, mfg=65.11 ]", ""}}, 
   {540.3804, 14.234893, "Meta"} -> {{1, 30658, 25988}, 
     {" [ C28 H58 Cl2 N2 O3, db=0.00, overall=20.26, mfg=40.51 ]", ""}}, 
   {551.2524, 14.206599, "Meta"} -> {{142534, 1, 136376}, 
     {" [ C32 H41 N O3 S2, db=0.00, overall=45.70, mfg=91.40 ]", ""}}, 
   {560.4049, 14.260172, "Meta"} -> {{507524, 532200, 517626}, 
     {" [ C29 H56 N2 O8, db=0.00, overall=35.06, mfg=70.13 ]", ""}}, 
   {554.4181, 14.257629, "Meta"} -> {{95384, 95076, 103184}, 
     {" [ C28 H55 Cl N8 O, db=0.00, overall=35.55, mfg=71.11 ]", ""}}, 
   {500.4063, 14.259203, "Meta"} -> {{57490, 1, 73795}, 
     {" [ C33 H56 O S, db=0.00, overall=42.97, mfg=85.93 ]", ""}}, 
   {408.3601, 14.2670555, "Meta"} -> {{129660, 140190, 148293}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=82.16, overall=82.20, \
mfg=82.25, Lipid ID=, KEGG ID= ]", ""}}, {414.3705, 14.260376, "Meta"} -> 
    {{58875, 62948, 63538}, 
     {" [ C25 H50 O4, db=0.00, overall=47.52, mfg=95.03 ]", ""}}, 
   {296.2717, 14.287835, "Meta"} -> {{619742, 675306, 731577}, 
     {"10-methylene-octadecanoic acid [ C19 H36 O2, db=97.03, overall=77.11, \
mfg=97.61, Lipid ID=, KEGG ID= ]", ""}}, {412.3549, 14.274667, "Meta"} -> 
    {{71954, 87419, 77182}, 
     {" [ C25 H48 O4, db=0.00, overall=39.26, mfg=78.52 ]", ""}}, 
   {402.297, 14.277215, "Meta"} -> {{215963, 187363, 1}, 
     {"Lys Lys Lys [ C18 H38 N6 O4, db=77.54, overall=78.84, mfg=80.13 ]", 
      ""}}, {420.3594, 14.263395, "Meta"} -> {{35206, 63252, 53206}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=59.88, \
overall=60.58, mfg=61.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {396.3221, 14.262521, "Meta"} -> {{1, 22632, 20885}, 
     {" [ C24 H44 O4, db=0.00, overall=29.91, mfg=59.82 ]", ""}}, 
   {498.3919, 14.2790575, "Meta"} -> {{102663, 118335, 123414}, 
     {" [ C25 H51 Cl N8, db=0.00, overall=38.17, mfg=76.34 ]", ""}}, 
   {490.3621, 14.289326, "Meta"} -> {{425036, 620989, 585897}, 
     {" [ C22 H42 N12 O, db=0.00, overall=37.47, mfg=74.93 ]", ""}}, 
   {396.3599, 14.284772, "Meta"} -> {{75349, 81431, 87977}, 
     {" [ C25 H48 O3, db=0.00, overall=47.30, mfg=94.59 ]", ""}}, 
   {504.3615, 14.2897415, "Meta"} -> {{96350, 118171, 107322}, 
     {" [ C26 H53 Cl N4 O S, db=0.00, overall=37.75, mfg=75.50 ]", ""}}, 
   {468.3811, 14.291083, "Meta"} -> {{4905653, 5929096, 5690609}, 
     {" [ C28 H52 O5, db=0.00, overall=49.08, mfg=73.99 ]", ""}}, 
   {468.3225, 14.290085, "Meta"} -> {{127172, 134398, 1}, 
     {"1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 \
/ 1alpha,25-dihydroxy-11-(3-h [ C30 H44 O4, db=56.63, overall=58.55, \
mfg=47.53, Lipid ID=LMST03020448, KEGG ID= ]", ""}}, 
   {584.4608, 14.286721, "Meta"} -> {{103901, 94638, 93262}, 
     {"Rhodovibrin [ C41 H60 O2, db=61.69, overall=61.17, mfg=60.65, Lipid \
ID=LMPR01070136, KEGG ID= ]", ""}}, {446.3392, 14.293056, "Meta"} -> 
    {{2526551, 2968118, 3198637}, {"1alpha,25-dihydroxy-11beta-methoxyvitamin \
D3 / 1alpha,25-dihydroxy-11beta-methoxycholecalciferol [ C28 H46 O4, \
db=62.84, overall=63.28, mfg=74.37, Lipid ID=LMST03020379, KEGG ID= ]", ""}}, 
   {482.319, 14.288907, "Meta"} -> {{41404, 49221, 64585}, 
     {" [ C26 H47 Cl N4 S, db=0.00, overall=42.21, mfg=84.42 ]", ""}}, 
   {436.355, 14.301529, "Meta"} -> {{372799, 327271, 432023}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=85.60, \
overall=86.54, mfg=87.47, Lipid ID=, KEGG ID= ]", ""}}, 
   {572.3694, 14.297513, "Meta"} -> {{39763, 28091, 29863}, 
     {"Vitamin D2 glucosiduronate [ C34 H52 O7, db=55.15, overall=54.57, \
mfg=53.99, Lipid ID=LMST03010070, KEGG ID= ]", ""}}, 
   {384.3602, 14.298198, "Meta"} -> {{49043, 48933, 53784}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=96.25, overall=96.27, \
mfg=96.28, Lipid ID=, KEGG ID= ]", ""}}, {354.2773, 14.3014345, "Meta"} -> 
    {{103943, 99157, 143689}, {"1-(9Z,12Z-octadecadienoyl)-rac-glycerol [ C21 \
H38 O4, db=68.19, overall=69.53, mfg=70.88, KEGG ID=, CAS ID= ]", ""}}, 
   {472.3534, 14.284516, "Meta"} -> {{421434, 761895, 538561}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydro [ C30 H48 O4, db=66.15, overall=67.16, \
mfg=68.18, Lipid ID=LMST03020462, KEGG ID= ]", ""}}, 
   {452.223, 14.286781, "Meta"} -> {{27192, 37733, 31670}, 
     {"Met Phe Arg [ C20 H32 N6 O4 S, db=55.06, overall=54.18, mfg=53.30 ]", 
      ""}}, {562.4204, 14.303835, "Meta"} -> {{388306, 398500, 431963}, 
     {" [ C35 H59 Cl O3, db=0.00, overall=35.19, mfg=70.38 ]", ""}}, 
   {424.355, 14.30239, "Meta"} -> {{511435, 636343, 586172}, 
     {" [ C26 H48 O4, db=0.00, overall=40.00, mfg=45.02 ]", ""}}, 
   {540.438, 14.31, "Meta"} -> {{6404726, 7818869, 7653642}, 
     {" [ C32 H60 O6, db=0.00, overall=49.34, mfg=74.98 ]", ""}}, 
   {586.421, 14.295, "Meta"} -> {{26254, 35998, 102404}, {"", ""}}, 
   {544.4118, 14.345419, "Meta"} -> {{40538, 1, 190993}, 
     {" [ C29 H56 N2 O7, db=0.00, overall=23.79, mfg=47.58 ]", ""}}, 
   {512.407, 14.311944, "Meta"} -> {{672921, 857229, 766644}, 
     {" [ C27 H48 N10, db=0.00, overall=48.96, mfg=47.05 ]", ""}}, 
   {644.4229, 14.313134, "Meta"} -> {{46590, 45960, 38338}, 
     {" [ C38 H64 N2 S3, db=0.00, overall=42.63, mfg=85.26 ]", ""}}, 
   {358.2875, 14.313527, "Meta"} -> {{133436, 131263, 149899}, 
     {"5beta-Chol-9(11)-en-24-oic Acid [ C24 H38 O2, db=95.07, overall=95.16, \
mfg=95.25, Lipid ID=, KEGG ID= ]", ""}}, {464.3124, 14.315104, "Meta"} -> 
    {{24329, 36396, 35348}, {"3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta\
-cholest-24-en-26-oic acid [ C27 H44 O6, db=80.73, overall=81.43, mfg=82.13, \
Lipid ID=, KEGG ID= ]", ""}}, {432.3457, 14.316293, "Meta"} -> 
    {{475138, 483651, 461528}, 
     {" [ C24 H49 Cl N2 O2, db=0.00, overall=32.90, mfg=65.79 ]", ""}}, 
   {408.3005, 14.322209, "Meta"} -> {{156035, 141190, 177720}, 
     {"3,5,3',5'-Tetra-tert-butyldiphenoquinone [ C28 H40 O2, db=50.67, \
overall=49.02, mfg=47.36, KEGG ID=, CAS ID=2455-14-3 ]", "2455-14-3"}}, 
   {514.3657, 14.333839, "Meta"} -> {{143366, 1, 105778}, 
     {" [ C33 H46 N4 O, db=0.00, overall=35.29, mfg=70.59 ]", ""}}, 
   {448.3553, 14.329122, "Meta"} -> {{453864, 4469144, 4129892}, 
     {"Teasterone [ C28 H48 O4, db=70.48, overall=70.98, mfg=46.09, Lipid \
ID=LMST01030121, KEGG ID= ]", ""}}, {752.6342, 14.325414, "Meta"} -> 
    {{79218, 63496, 83744}, 
     {" [ C38 H84 N6 O8, db=0.00, overall=48.62, mfg=97.23 ]", ""}}, 
   {352.1709, 14.331971, "Meta"} -> {{96867, 117882, 115861}, 
     {" [ C19 H28 O4 S, db=0.00, overall=47.84, mfg=37.72 ]", ""}}, 
   {442.4023, 14.347166, "Meta"} -> {{304067, 358269, 418909}, 
     {" [ C27 H54 O4, db=0.00, overall=49.94, mfg=99.88 ]", ""}}, 
   {390.2971, 14.359208, "Meta"} -> {{1, 1, 828601}, 
     {" [ C18 H34 N10, db=0.00, overall=48.03, mfg=96.05 ]", ""}}, 
   {438.2825, 14.371251, "Meta"} -> {{1, 1, 37889}, 
     {" [ C22 H46 O4 S2, db=0.00, overall=35.49, mfg=70.98 ]", ""}}, 
   {334.2872, 14.365723, "Meta"} -> {{85899, 95800, 96078}, 
     {"10,10-dimethyl-5Z,8Z,11Z-eicosatrienoic acid [ C22 H38 O2, db=99.59, \
overall=99.60, mfg=99.61, Lipid ID=, KEGG ID= ]", ""}}, 
   {566.454, 14.375964, "Meta"} -> {{266373, 1, 293461}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=60.35, overall=30.17, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {380.2592, 14.37723, "Meta"} -> 
    {{94441, 88899, 104514}, 
     {" [ C22 H37 Cl N2 O, overall=43.09, mfg=86.19 ]", ""}}, 
   {566.526, 14.376572, "Meta"} -> {{17832, 1, 18860}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=34.49, mfg=68.98 ]", ""}}, 
   {366.2746, 14.386145, "Meta"} -> {{295356, 251976, 291316}, 
     {" [ C18 H34 N6 O2, db=0.00, overall=48.74, mfg=97.47 ]", ""}}, 
   {582.5569, 14.383319, "Meta"} -> {{15126, 16259, 16397}, 
     {" [ C33 H70 N6 O2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {651.4659, 14.383, "Meta"} -> {{69795, 54361, 53801}, 
     {" [ C37 H61 N7 O S, db=0.00, overall=46.83, mfg=93.67 ]", ""}}, 
   {612.547, 14.382085, "Meta"} -> {{18787, 18721, 20755}, 
     {" [ C34 H72 N6 O S, db=0.00, overall=34.59, mfg=69.18 ]", ""}}, 
   {896.7778, 14.382929, "Meta"} -> {{86438, 72607, 90175}, 
     {"TG(17:0/18:0/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H104 O6, db=77.87, \
overall=77.70, mfg=77.53, Lipid ID=LMGL03010401, KEGG ID= ]", ""}}, 
   {696.5707, 14.382877, "Meta"} -> {{17256, 19033, 14632}, 
     {"1-(11Z-eicosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol \
[ C45 H76 O5, db=76.92, overall=78.63, mfg=80.34, KEGG ID=, CAS ID= ]", ""}}, 
   {590.5251, 14.384611, "Meta"} -> {{460895, 414918, 466070}, 
     {" [ C34 H66 N6 O2, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {726.563, 14.383792, "Meta"} -> {{24095, 21224, 17567}, 
     {"Ubiquinone 8 [ C49 H74 O4, db=61.47, overall=63.06, mfg=64.65, KEGG \
ID=, CAS ID=2394-68-5 ]", "2394-68-5"}}, {890.7609, 14.384122, "Meta"} -> 
    {{54339, 45057, 51248}, 
     {" [ C52 H106 O8 S, db=0.00, overall=47.90, mfg=95.79 ]", ""}}, 
   {320.2484, 14.385223, "Meta"} -> {{295498, 308211, 319505}, 
     {" [ C18 H37 Cl O2, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {672.5275, 14.385973, "Meta"} -> {{47401, 40855, 45657}, 
     {" [ C41 H72 N2 O3 S, db=0.00, overall=47.57, mfg=95.14 ]", ""}}, 
   {284.271, 14.38654, "Meta"} -> {{3.3*^7, 3.25*^7, 3.55*^7}, 
     {"Stearic acid [ C18 H36 O2, db=97.54, overall=98.01, mfg=97.98, KEGG \
ID=, CAS ID=57-11-4 ]", "57-11-4"}}, {418.2915, 14.385075, "Meta"} -> 
    {{75241, 81498, 68439}, {"1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / \
1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol [ C26 H42 O2 S, db=82.79, \
overall=83.38, mfg=83.97, Lipid ID=LMST03020041, KEGG ID= ]", ""}}, 
   {474.3174, 14.386117, "Meta"} -> {{61870, 54928, 43056}, 
     {" [ C22 H46 N6 O S2, overall=48.54, mfg=97.08 ]", ""}}, 
   {460.3012, 14.386917, "Meta"} -> {{114501, 112821, 91071}, 
     {"(6R)-vitamin D2 6,19-sulfur dioxide adduct / (6R)-ergocalciferol \
6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=92.47, overall=92.94, \
mfg=93.41, Lipid ID=LMST03010034, KEGG ID= ]", ""}}, 
   {682.5548, 14.383958, "Meta"} -> {{30483, 28672, 27655}, 
     {"1-nonadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol [ \
C44 H74 O5, db=70.28, overall=71.93, mfg=73.59, KEGG ID=, CAS ID= ]", ""}}, 
   {1205.2725, 14.389169, "Meta"} -> {{121771, 113823, 119090}, 
     {" [ C40 H39 N25 O21, db=0.00, overall=42.43, mfg=84.85 ]", ""}}, 
   {666.5106, 14.386441, "Meta"} -> {{32134, 33123, 31137}, 
     {" [ C36 H74 O8 S, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {346.29, 14.389528, "Meta"} -> {{2222211, 2142279, 2150106}, 
     {"24-Nor-5beta-chol-22-ene-3alpha,7alpha-diol [ C23 H38 O2, db=75.68, \
overall=75.95, mfg=76.21, Lipid ID=, KEGG ID= ]", ""}}, 
   {489.2513, 14.3914995, "Meta"} -> {{29920, 22745, 22282}, 
     {" [ C23 H43 N3 O2 S3, db=0.00, overall=40.64, mfg=81.28 ]", ""}}, 
   {485.2574, 14.3926, "Meta"} -> {{89639, 84801, 101492}, 
     {" [ C24 H43 N3 O S3, db=0.00, overall=39.68, mfg=79.35 ]", ""}}, 
   {404.3129, 14.392229, "Meta"} -> {{282024, 269389, 274771}, 
     {" [ C19 H36 N10, db=0.00, overall=44.72, mfg=89.44 ]", ""}}, 
   {298.1604, 14.388391, "Meta"} -> {{474932, 287204, 470816}, 
     {" [ C16 H26 O3 S, db=0.00, overall=49.34, mfg=98.68 ]", ""}}, 
   {426.3712, 14.411167, "Meta"} -> {{1109250, 1353340, 1329695}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=93.88, overall=94.84, mfg=95.79, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {470.3936, 14.413223, "Meta"} -> 
    {{113775, 132792, 121485}, 
     {" [ C20 H46 N12 O, db=0.00, overall=38.22, mfg=76.45 ]", ""}}, 
   {390.2971, 14.419116, "Meta"} -> {{2458609, 2361472, 1739044}, 
     {" [ C18 H34 N10, db=0.00, overall=42.67, mfg=85.33 ]", ""}}, 
   {422.3758, 14.424514, "Meta"} -> {{252253, 281736, 301194}, 
     {" [ C27 H50 O3, db=0.00, overall=40.35, mfg=80.70 ]", ""}}, 
   {496.3532, 14.436064, "Meta"} -> {{87790, 51090, 72778}, 
     {" [ C28 H44 N6 O2, db=0.00, overall=38.26, mfg=76.51 ]", ""}}, 
   {474.3709, 14.431028, "Meta"} -> {{1564485, 1800158, 1767891}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.54, \
overall=79.60, mfg=79.65, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {410.3759, 14.439307, "Meta"} -> {{368440, 326264, 428135}, 
     {" [ C26 H50 O3, db=0.00, overall=49.69, mfg=99.37 ]", ""}}, 
   {518.3968, 14.440113, "Meta"} -> {{467589, 546225, 531413}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=77.10, \
overall=77.20, mfg=77.29, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {398.3761, 14.444584, "Meta"} -> {{664753, 678097, 828877}, 
     {"15-hydroxy-pentacosanoic acid [ C25 H50 O3, db=99.62, overall=78.61, \
mfg=99.69, Lipid ID=, KEGG ID= ]", ""}}, {566.5253, 14.435081, "Meta"} -> 
    {{1, 19571, 13624}, 
     {" [ C32 H66 N6 O2, db=0.00, overall=35.91, mfg=71.83 ]", ""}}, 
   {448.2782, 14.412751, "Meta"} -> {{1, 36348, 39596}, 
     {" [ C24 H45 Cl O3 S, db=0.00, overall=33.10, mfg=66.19 ]", ""}}, 
   {590.454, 14.443999, "Meta"} -> {{1, 511148, 457683}, 
     {" [ C27 H59 Cl N10 O2, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {282.2557, 14.425111, "Meta"} -> {{1, 1, 62732}, 
     {"5-octadecylenic acid [ C18 H34 O2, db=84.42, overall=84.45, mfg=84.48, \
Lipid ID=LMFA01030065, KEGG ID= ]", ""}}, {594.5586, 14.450417, "Meta"} -> 
    {{106751, 81396, 135615}, 
     {" [ C38 H74 O4, db=0.00, overall=46.58, mfg=93.17 ]", ""}}, 
   {540.3808, 14.450665, "Meta"} -> {{24617, 82113, 87396}, 
     {" [ C32 H52 N4 O S, db=0.00, overall=23.81, mfg=47.61 ]", ""}}, 
   {612.4378, 14.431779, "Meta"} -> {{244633, 35907, 269568}, {"", ""}}, 
   {566.4544, 14.4513855, "Meta"} -> {{385033, 490952, 531704}, 
     {"GPCho(O-11:0/O-11:0[U]) [ C30 H65 N O6 P, db=61.29, overall=30.64, \
Lipid ID=LMGP01040012, KEGG ID= ]", ""}}, {450.3707, 14.451275, "Meta"} -> 
    {{1800853, 2267505, 1529342}, {"3alpha,12alpha,25-trihydroxy-5beta-choles\
tan-7-one [ C28 H50 O4, db=96.08, overall=96.87, mfg=97.66, Lipid ID=, KEGG \
ID= ]", ""}}, {511.2611, 14.445362, "Meta"} -> {{1200331, 1202776, 1146210}, 
     {" [ C27 H37 N5 O3 S, db=0.00, overall=48.88, mfg=97.76 ]", ""}}, 
   {482.3956, 14.436031, "Meta"} -> {{31117, 53647, 56463}, 
     {" [ C33 H54 S, db=0.00, overall=35.14, mfg=70.29 ]", ""}}, 
   {310.2876, 14.455529, "Meta"} -> {{1555956, 1548073, 1918758}, 
     {"trans-gondoic acid [ C20 H38 O2, db=64.96, overall=68.22, mfg=65.06, \
Lipid ID=LMFA01030086, KEGG ID= ]", ""}}, {533.2422, 14.443667, "Meta"} -> 
    {{46543, 50309, 1}, 
     {" [ C32 H39 N O2 S2, db=0.00, overall=42.90, mfg=85.80 ]", ""}}, 
   {586.4238, 14.4598675, "Meta"} -> {{296913, 12009, 19844}, 
     {" [ C22 H50 N16 O3, db=0.00, overall=23.80, mfg=47.60 ]", ""}}, 
   {508.4113, 14.492593, "Meta"} -> {{1, 34484, 30591}, 
     {" [ C26 H57 Cl N4 O3, db=0.00, overall=30.42, mfg=60.84 ]", ""}}, 
   {420.2907, 14.455624, "Meta"} -> {{24060, 16368, 34508}, 
     {" [ C26 H36 N4 O, db=0.00, overall=36.47, mfg=72.94 ]", ""}}, 
   {612.4953, 14.397858, "Meta"} -> {{1, 146523, 103527}, {"", ""}}, 
   {532.4101, 14.456549, "Meta"} -> {{48999, 36665, 33383}, 
     {"beta-Isorenieratene [ C40 H52, db=47.90, overall=49.06, mfg=50.22, \
Lipid ID=LMPR01070123, KEGG ID= ]", ""}}, {494.3971, 14.462331, "Meta"} -> 
    {{1859775, 2078831, 2220802}, 
     {" [ C30 H54 O5, db=0.00, overall=48.20, mfg=96.40 ]", ""}}, 
   {406.275, 14.456833, "Meta"} -> {{24254, 24415, 28438}, 
     {"3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid [ C24 H38 O5, \
db=40.73, overall=40.55, mfg=40.37, Lipid ID=, KEGG ID= ]", ""}}, 
   {617.2878, 14.457032, "Meta"} -> {{26312, 20811, 23006}, 
     {" [ C34 H43 N5 O2 S2, db=0.00, overall=44.48, mfg=88.96 ]", ""}}, 
   {398.3398, 14.466334, "Meta"} -> {{183369, 173346, 216898}, 
     {"Tetracosanedioic acid [ C24 H46 O4, db=98.34, overall=68.78, \
mfg=98.57, Lipid ID=LMFA01170039, KEGG ID= ]", ""}}, 
   {524.4433, 14.466062, "Meta"} -> {{346508, 267109, 1}, 
     {" [ C33 H64 S2, db=0.00, overall=34.36, mfg=68.72 ]", ""}}, 
   {462.3706, 14.475169, "Meta"} -> {{340445, 402114, 438776}, 
     {"2alpha-(3-Hydroxypropyl)-1alpha,25-dihydroxy-19-norvitamin D3 [ C29 \
H50 O4, db=77.79, overall=79.00, mfg=80.20, Lipid ID=LMST03020627, KEGG ID= \
]", ""}}, {614.452, 14.46932, "Meta"} -> {{1, 297876, 1}, 
     {" [ C33 H64 Cl2 N6, db=0.00, overall=32.20, mfg=64.40 ]", ""}}, 
   {592.4707, 14.488604, "Meta"} -> {{4690035, 6209496, 5479079}, 
     {" [ C36 H65 Cl N2 O2, db=0.00, overall=32.74, mfg=65.49 ]", ""}}, 
   {504.3675, 14.470387, "Meta"} -> {{53324, 54843, 56161}, 
     {" [ C33 H48 N2 O2, db=0.00, overall=29.23, mfg=58.46 ]", ""}}, 
   {312.3029, 14.487874, "Meta"} -> {{357808, 367116, 407367}, 
     {"Isoarachidic acid [ C20 H40 O2, db=99.70, overall=76.13, mfg=99.78, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {696.6261, 14.480583, "Meta"} -> {{29734, 29946, 38266}, 
     {" [ C43 H85 Cl N2 O2, db=0.00, overall=28.52, mfg=57.04 ]", ""}}, 
   {568.4702, 14.498593, "Meta"} -> {{1497972, 1607028, 1969210}, 
     {" [ C34 H64 O6, db=0.00, overall=49.92, mfg=69.50 ]", ""}}, 
   {418.3281, 14.485789, "Meta"} -> {{173816, 165619, 190474}, 
     {" [ C20 H38 N10, overall=46.76, mfg=93.51 ]", ""}}, 
   {488.3864, 14.513501, "Meta"} -> {{58633, 1, 1}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=76.60, overall=77.02, \
mfg=77.44, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {360.3031, 14.495388, "Meta"} -> {{130165, 135702, 162162}, 
     {"5alpha-Cholan-24-oic Acid [ C24 H40 O2, db=95.69, overall=96.28, \
mfg=96.87, Lipid ID=, KEGG ID= ]", ""}}, {780.6661, 14.4990835, "Meta"} -> 
    {{88495, 66230, 104671}, 
     {" [ C48 H92 O5 S, db=0.00, overall=47.70, mfg=95.39 ]", ""}}, 
   {422.3164, 14.500791, "Meta"} -> {{259028, 252295, 247789}, 
     {" [ C23 H47 Cl O4, db=0.00, overall=48.38, mfg=96.75 ]", ""}}, 
   {446.3609, 14.505896, "Meta"} -> {{523241, 521448, 480196}, 
     {" [ C26 H54 O S2, db=0.00, overall=43.33, mfg=86.67 ]", ""}}, 
   {574.4604, 14.511802, "Meta"} -> {{1407147, 1542464, 1551059}, 
     {" [ C37 H66 S2, db=0.00, overall=39.85, mfg=58.42 ]", ""}}, 
   {546.4284, 14.5196, "Meta"} -> {{467350, 541676, 554932}, 
     {" [ C29 H59 Cl N4 O3, db=0.00, overall=36.64, mfg=73.29 ]", ""}}, 
   {500.3868, 14.530065, "Meta"} -> {{1, 655631, 669100}, 
     {" [ C32 H52 O4, db=0.00, overall=38.92, mfg=77.84 ]", ""}}, 
   {600.4568, 14.51575, "Meta"} -> {{1, 46161, 62446}, 
     {"OH-Spheroidenone [ C41 H60 O3, db=51.91, overall=54.92, mfg=57.92, \
Lipid ID=LMPR01070151, KEGG ID= ]", ""}}, {438.3706, 14.493234, "Meta"} -> 
    {{1, 67522, 128943}, 
     {" [ C27 H50 O4, db=0.00, overall=39.36, mfg=78.72 ]", ""}}, 
   {440.3865, 14.528334, "Meta"} -> {{77512, 91200, 103857}, 
     {" [ C27 H52 O4, db=0.00, overall=48.49, mfg=96.98 ]", ""}}, 
   {552.4392, 14.549848, "Meta"} -> {{1, 47490, 66608}, 
     {" [ C34 H56 N4 O2, overall=32.57, mfg=65.13 ]", ""}}, 
   {520.4129, 14.534092, "Meta"} -> {{1, 1, 1162721}, 
     {" [ C32 H57 Cl N2 O, db=0.00, overall=32.16, mfg=45.16 ]", ""}}, 
   {436.3901, 14.545443, "Meta"} -> {{1, 1, 1}, {"19-oxo-22Z-octacosenoic \
acid [ C28 H52 O3, db=53.24, overall=26.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {298.2874, 14.552748, "Meta"} -> {{203098, 158459, 222704}, 
     {"11-methyl-octadecanoic acid [ C19 H38 O2, db=98.41, overall=98.42, \
mfg=98.44, Lipid ID=, KEGG ID= ]", ""}}, {557.3389, 14.547319, "Meta"} -> 
    {{109205, 92109, 126185}, 
     {" [ C30 H47 N5 O3 S, db=0.00, overall=46.87, mfg=93.74 ]", ""}}, 
   {476.3865, 14.5525, "Meta"} -> {{965169, 1215829, 1241565}, 
     {" [ C30 H52 O4, db=0.00, overall=49.07, mfg=98.14 ]", ""}}, 
   {452.3863, 14.551115, "Meta"} -> {{297981, 279100, 559424}, 
     {" [ C28 H52 O4, db=0.00, overall=46.72, mfg=46.92 ]", ""}}, 
   {424.3917, 14.558, "Meta"} -> {{1, 1, 122687}, 
     {" [ C27 H52 O3, db=0.00, overall=47.62, mfg=95.24 ]", ""}}, 
   {474.3706, 14.545882, "Meta"} -> {{262995, 303072, 341307}, 
     {"26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 / \
26,27-diethyl-1alpha,25-dihydroxy-23-oxacholeca [ C30 H50 O4, db=79.45, \
overall=79.51, mfg=79.58, Lipid ID=LMST03020471, KEGG ID= ]", ""}}, 
   {578.3823, 14.552807, "Meta"} -> {{303715, 300137, 330415}, 
     {"1,25-Dihydroxyvitamin D3 3-glycoside [ C33 H54 O8, db=88.78, \
overall=89.62, mfg=90.46, Lipid ID=LMST03020611, KEGG ID= ]", ""}}, 
   {1224.7332, 14.552747, "Meta"} -> {{29501, 28903, 29468}, 
     {" [ C60 H108 N2 O23, db=0.00, overall=48.64, mfg=46.23 ]", ""}}, 
   {404.3134, 14.550419, "Meta"} -> {{99601, 112832, 134841}, 
     {" [ C22 H44 O6, db=0.00, overall=45.60, mfg=91.20 ]", ""}}, 
   {608.4312, 14.560875, "Meta"} -> {{98668, 91746, 85492}, 
     {" [ C32 H64 O8 S, overall=46.22, mfg=92.44 ]", ""}}, 
   {526.4587, 14.544408, "Meta"} -> {{33615, 40537, 45069}, {"", ""}}, 
   {496.4132, 14.571638, "Meta"} -> {{1769270, 2120162, 2065405}, 
     {" [ C30 H56 O5, db=0.00, overall=49.65, mfg=45.10 ]", ""}}, 
   {570.4858, 14.581722, "Meta"} -> {{571966, 596305, 658128}, 
     {" [ C34 H66 O6, overall=47.38, mfg=94.76 ]", ""}}, 
   {356.293, 14.57604, "Meta"} -> {{290990, 213928, 357572}, 
     {"1-(11E-octadecenoyl)-rac-glycerol [ C21 H40 O4, db=93.99, \
overall=94.85, mfg=95.72, KEGG ID=, CAS ID= ]", ""}}, 
   {616.4681, 14.60106, "Meta"} -> {{1045002, 901996, 672548}, 
     {" [ C33 H65 Cl N4 O4, db=0.00, overall=33.01, mfg=66.02 ]", ""}}, 
   {456.3993, 14.579884, "Meta"} -> {{83878, 85852, 89139}, 
     {" [ C28 H56 O2 S, db=0.00, overall=42.70, mfg=85.41 ]", ""}}, 
   {336.3032, 14.58025, "Meta"} -> {{81187, 75655, 83138}, 
     {"13,16-docosadienoic acid [ C22 H40 O2, db=96.00, overall=96.66, \
mfg=97.32, Lipid ID=, KEGG ID= ]", ""}}, {412.3918, 14.583387, "Meta"} -> 
    {{686571, 722298, 790924}, {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, \
db=99.61, overall=80.92, mfg=99.62, Lipid ID=, KEGG ID= ]", ""}}, 
   {408.3603, 14.58108, "Meta"} -> {{39700, 28975, 1}, 
     {"17-oxo-20Z-hexacosenoic acid [ C26 H48 O3, db=62.40, overall=62.48, \
mfg=62.57, Lipid ID=, KEGG ID= ]", ""}}, {310.1815, 14.585141, "Meta"} -> 
    {{181113, 142925, 187930}, 
     {" [ C14 H30 O5 S, db=0.00, overall=44.41, mfg=88.82 ]", ""}}, 
   {698.4696, 14.602773, "Meta"} -> {{92867, 78590, 43546}, 
     {" [ C37 H75 Cl O5 S2, db=0.00, overall=32.85, mfg=37.28 ]", ""}}, 
   {706.5266, 14.628344, "Meta"} -> {{212189, 195966, 200996}, 
     {" [ C32 H70 N10 O5 S, db=0.00, overall=47.64, mfg=95.28 ]", ""}}, 
   {464.3867, 14.607075, "Meta"} -> {{168258, 194397, 182452}, 
     {" [ C29 H52 O4, db=0.00, overall=44.46, mfg=88.91 ]", ""}}, 
   {436.356, 14.600913, "Meta"} -> {{95233, 92338, 95957}, 
     {"5beta-Cholestane-3alpha,7alpha,24,26-tetrol [ C27 H48 O4, db=68.83, \
overall=68.98, mfg=69.14, Lipid ID=, KEGG ID= ]", ""}}, 
   {488.3864, 14.610713, "Meta"} -> {{53499, 63260, 68596}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 \
/ (20S)-1alpha,25-dihydroxy-2 [ C31 H52 O4, db=80.84, overall=81.02, \
mfg=81.20, Lipid ID=LMST03020502, KEGG ID= ]", ""}}, 
   {626.4405, 14.620168, "Meta"} -> {{32590, 36831, 32712}, 
     {" [ C31 H59 Cl N8 O3, db=0.00, overall=35.28, mfg=70.56 ]", ""}}, 
   {386.3193, 14.615633, "Meta"} -> {{59193, 62236, 65261}, 
     {"25-hydroxy-3-deoxy-2-oxavitamin D3 / \
25-hydroxy-3-deoxy-2-oxacholecalciferol [ C26 H42 O2, db=71.61, \
overall=72.71, mfg=73.81, Lipid ID=LMST03020040, KEGG ID= ]", ""}}, 
   {594.4853, 14.627193, "Meta"} -> {{3.12*^7, 2.3*^7, 2.43*^7}, 
     {" [ C32 H63 Cl N8, overall=40.12, mfg=58.73 ]", ""}}, 
   {1210.951, 14.630283, "Meta"} -> {{99783, 202255, 281322}, 
     {" [ C41 H28 Cl3 N11 O19 S4, db=0.00, overall=23.81, mfg=47.62 ]", ""}}, 
   {426.3711, 14.620759, "Meta"} -> {{20383, 26438, 21925}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=84.93, overall=86.12, mfg=87.31, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {703.4245, 14.62939, "Meta"} -> 
    {{153803, 114789, 116196}, 
     {" [ C33 H67 Cl2 N3 O8, db=0.00, overall=33.42, mfg=66.85 ]", ""}}, 
   {1241.8857, 14.6316, "Meta"} -> {{38918, 61877, 81591}, 
     {" [ C57 H117 Cl2 N23 O S, db=0.00, overall=26.20, mfg=52.39 ]", ""}}, 
   {412.3558, 14.620218, "Meta"} -> {{53952, 52615, 57939}, 
     {" [ C25 H48 O4, db=0.00, overall=45.33, mfg=90.66 ]", ""}}, 
   {570.281, 14.6242485, "Meta"} -> {{160943, 111699, 143790}, 
     {" [ C28 H38 N6 O7, db=0.00, overall=46.33, mfg=92.66 ]", ""}}, 
   {833.5872, 14.631417, "Meta"} -> {{29760, 25186, 25940}, 
     {" [ C42 H71 N15 O3, overall=48.05, mfg=96.10 ]", ""}}, 
   {893.6066, 14.631625, "Meta"} -> {{23259, 19796, 21551}, 
     {" [ C46 H87 N O15, db=0.00, overall=47.41, mfg=94.82 ]", ""}}, 
   {454.402, 14.633138, "Meta"} -> {{131177, 122126, 132271}, 
     {" [ C28 H54 O4, db=0.00, overall=33.45, mfg=66.91 ]", ""}}, 
   {380.2237, 14.632667, "Meta"} -> {{145276, 95568, 116209}, 
     {" [ C19 H40 O S3, db=0.00, overall=46.64, mfg=93.28 ]", ""}}, 
   {496.2863, 14.630834, "Meta"} -> {{117121, 98752, 114877}, 
     {" [ C27 H44 O6 S, db=0.00, overall=45.92, mfg=91.84 ]", ""}}, 
   {657.4816, 14.636032, "Meta"} -> {{67814, 73398, 101014}, 
     {" [ C39 H73 Cl2 N S, db=0.00, overall=24.47, mfg=48.95 ]", ""}}, 
   {522.4283, 14.645131, "Meta"} -> {{1, 1949255, 2161637}, 
     {" [ C33 H62 S2, db=0.00, overall=42.66, mfg=85.32 ]", ""}}, 
   {596.6157, 14.694416, "Meta"} -> {{855179, 1463237, 1026865}, {"", ""}}, 
   {622.499, 14.6424, "Meta"} -> {{223166, 181978, 1}, 
     {" [ C38 H70 O4 S, db=0.00, overall=47.60, mfg=95.20 ]", ""}}, 
   {572.4445, 14.655908, "Meta"} -> {{567621, 610822, 559688}, 
     {" [ C36 H60 O5, db=0.00, overall=36.98, mfg=73.96 ]", ""}}, 
   {694.4103, 14.645499, "Meta"} -> {{132507, 124020, 84389}, 
     {" [ C41 H60 Cl2 N4 O, db=0.00, overall=32.97, mfg=65.94 ]", ""}}, 
   {592.3979, 14.656474, "Meta"} -> {{768076, 721680, 790143}, 
     {" [ C35 H60 O3 S2, overall=44.89, mfg=89.77 ]", ""}}, 
   {502.4028, 14.650999, "Meta"} -> {{1937654, 2037745, 2173080}, 
     {"(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 / \
(20S)-1alpha,25-dihydroxy-20-methoxy- [ C32 H54 O4, db=66.42, overall=66.85, \
mfg=67.29, Lipid ID=LMST03020524, KEGG ID= ]", ""}}, 
   {498.4263, 14.6582775, "Meta"} -> {{76714, 83173, 84528}, 
     {" [ C26 H54 N6 O3, db=0.00, overall=38.18, mfg=76.36 ]", ""}}, 
   {432.3602, 14.6564, "Meta"} -> {{89768, 52259, 1}, 
     {"3-Dehydro-6-deoxoteasterone [ C28 H48 O3, db=77.14, overall=77.29, \
mfg=77.43, Lipid ID=LMST01030125, KEGG ID= ]", ""}}, 
   {420.3606, 14.665766, "Meta"} -> {{76216, 67038, 89257}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=84.25, \
overall=84.65, mfg=85.06, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {732.5424, 14.677293, "Meta"} -> {{322941, 317601, 318694}, 
     {" [ C35 H68 N14 O S, db=0.00, overall=48.09, mfg=47.38 ]", ""}}, 
   {1267.0042, 14.671874, "Meta"} -> {{128179, 69780, 229565}, 
     {" [ C58 H24 Cl3 N19 O S5, db=0.00, overall=19.53, mfg=39.06 ]", ""}}, 
   {557.3384, 14.675688, "Meta"} -> {{306361, 334030, 337427}, 
     {" [ C29 H51 N O7 S, db=0.00, overall=48.97, mfg=97.95 ]", ""}}, 
   {478.4024, 14.669061, "Meta"} -> {{514118, 583982, 592212}, 
     {" [ C30 H54 O4, db=0.00, overall=49.88, mfg=99.75 ]", ""}}, 
   {814.5458, 14.676124, "Meta"} -> {{44773, 39105, 38976}, 
     {" [ C45 H74 N4 O9, overall=46.53, mfg=93.05 ]", ""}}, 
   {362.3188, 14.676334, "Meta"} -> {{61891, 60745, 75761}, 
     {"5beta-Cholane-3alpha,24-diol [ C24 H42 O2, db=69.29, overall=69.40, \
mfg=69.51, Lipid ID=, KEGG ID= ]", ""}}, {778.583, 14.684124, "Meta"} -> 
    {{26062, 21611, 27568}, 
     {" [ C52 H78 N2 O S, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {650.4218, 14.68346, "Meta"} -> {{34273, 27198, 27826}, 
     {" [ C38 H66 O2 S3, db=0.00, overall=40.58, mfg=81.17 ]", ""}}, 
   {606.414, 14.685029, "Meta"} -> {{689416, 702305, 801384}, 
     {" [ C29 H62 N6 O S3, db=0.00, overall=45.75, mfg=91.50 ]", ""}}, 
   {438.4068, 14.689793, "Meta"} -> {{45312, 43108, 52854}, 
     {" [ C28 H54 O3, db=0.00, overall=45.91, mfg=91.81 ]", ""}}, 
   {490.4019, 14.682063, "Meta"} -> {{77531, 96002, 106301}, 
     {" [ C31 H54 O4, db=0.00, overall=39.67, mfg=79.33 ]", ""}}, 
   {562.3882, 14.691819, "Meta"} -> {{84125, 77157, 89618}, 
     {" [ C34 H50 N4 O3, db=0.00, overall=45.32, mfg=90.63 ]", ""}}, 
   {410.3764, 14.695648, "Meta"} -> {{128821, 120727, 134367}, 
     {" [ C26 H50 O3, db=0.00, overall=35.07, mfg=70.14 ]", ""}}, 
   {426.4075, 14.698085, "Meta"} -> {{158202, 160314, 173189}, 
     {" [ C27 H54 O3, db=0.00, overall=48.79, mfg=97.57 ]", ""}}, 
   {859.6029, 14.699875, "Meta"} -> {{54212, 41275, 47871}, 
     {" [ C44 H73 N15 O3, db=0.00, overall=47.59, mfg=95.18 ]", ""}}, 
   {679.4256, 14.701721, "Meta"} -> {{86549, 1, 1}, 
     {" [ C41 H61 N O5 S, db=0.00, overall=37.26, mfg=74.52 ]", ""}}, 
   {919.6243, 14.699417, "Meta"} -> {{36492, 36469, 34978}, 
     {" [ C48 H89 N O15, db=0.00, overall=47.34, mfg=94.68 ]", ""}}, 
   {596.5008, 14.706333, "Meta"} -> {{2.11*^7, 3.15*^7, 3.31*^7}, 
     {" [ C36 H68 O6, db=0.00, overall=48.11, mfg=70.93 ]", ""}}, 
   {696.4264, 14.706114, "Meta"} -> {{191861, 164500, 118355}, 
     {" [ C43 H60 N4 S2, db=0.00, overall=46.76, mfg=93.53 ]", ""}}, 
   {1226.7491, 14.707042, "Meta"} -> {{34010, 31547, 32262}, 
     {"Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=96.79, \
overall=96.78, mfg=96.77, HMP ID=HMDB04902, KEGG ID= ]", ""}}, 
   {1193.342, 14.707576, "Meta"} -> {{1, 97008, 1}, {"", ""}}, 
   {659.4979, 14.706516, "Meta"} -> {{66651, 113089, 61846}, 
     {" [ C41 H65 N5 S, db=0.00, overall=40.98, mfg=81.96 ]", ""}}, 
   {640.5099, 14.709193, "Meta"} -> {{481789, 506317, 467702}, 
     {"1-(9Z,12Z-octadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glyce\
rol [ C41 H68 O5, db=84.87, overall=84.99, mfg=85.11, KEGG ID=, CAS ID= ]", 
      ""}}, {622.5008, 14.712, "Meta"} -> {{510249, 400560, 532312}, 
     {" [ C38 H70 O4 S, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {1245.9124, 14.707405, "Meta"} -> {{41077, 43322, 41146}, {"", ""}}, 
   {692.5022, 14.7037325, "Meta"} -> {{271666, 347781, 228058}, 
     {" [ C40 H65 Cl N8, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {578.4913, 14.700814, "Meta"} -> {{1533287, 1355768, 1601019}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=63.40, overall=64.17, mfg=64.94, KEGG ID=, CAS ID= ]", ""}}, 
   {1214.9836, 14.710722, "Meta"} -> {{88909, 97139, 110232}, 
     {" [ C60 H13 N7 O22 S, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {618.4826, 14.709415, "Meta"} -> {{962534, 846211, 880994}, 
     {" [ C34 H70 N2 O3 S2, db=0.00, overall=45.08, mfg=90.16 ]", ""}}, 
   {548.4443, 14.708259, "Meta"} -> {{744012, 772383, 693769}, 
     {" [ C34 H60 O5, db=0.00, overall=37.96, mfg=75.92 ]", ""}}, 
   {700.486, 14.716387, "Meta"} -> {{91282, 84930, 69902}, 
     {" [ C41 H68 N2 O5 S, db=0.00, overall=46.29, mfg=92.58 ]", ""}}, 
   {374.3213, 14.724938, "Meta"} -> {{126465, 104023, 123921}, 
     {"12,14-Pentacosadiynoic acid [ C25 H42 O2, db=46.58, overall=47.12, \
mfg=47.66, Lipid ID=, KEGG ID= ]", ""}}, {322.1818, 14.720968, "Meta"} -> 
    {{72943, 1, 1}, {" [ C16 H34 S3, db=0.00, overall=47.47, mfg=94.94 ]", 
      ""}}, {312.3037, 14.724779, "Meta"} -> {{985929, 852444, 1011805}, 
     {"Isoarachidic acid [ C20 H40 O2, db=98.09, overall=83.59, mfg=98.35, \
KEGG ID=, CAS ID=6250-72-2 ]", "6250-72-2"}}, 
   {418.3288, 14.725119, "Meta"} -> {{144280, 120992, 138007}, 
     {" [ C23 H46 O6, overall=43.70, mfg=87.41 ]", ""}}, 
   {720.5423, 14.730708, "Meta"} -> {{120787, 120188, 113270}, 
     {" [ C34 H68 N14 O S, db=0.00, overall=49.60, mfg=99.20 ]", ""}}, 
   {712.4419, 14.703515, "Meta"} -> {{51126, 67019, 43925}, 
     {" [ C35 H57 Cl N12 O2, db=0.00, overall=48.58, mfg=97.16 ]", ""}}, 
   {524.4435, 14.732303, "Meta"} -> {{365908, 243034, 412967}, 
     {" [ C32 H60 O5, db=0.00, overall=47.01, mfg=94.03 ]", ""}}, 
   {382.3453, 14.736083, "Meta"} -> {{73610, 71909, 87284}, 
     {"24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=79.60, \
overall=80.09, mfg=80.58, Lipid ID=, KEGG ID= ]", ""}}, 
   {516.4182, 14.740686, "Meta"} -> {{578419, 570549, 617257}, 
     {"1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)cho [ C33 H56 O4, db=97.05, \
overall=97.15, mfg=97.25, Lipid ID=LMST03020534, KEGG ID= ]", ""}}, 
   {454.2394, 14.738332, "Meta"} -> {{45371, 47770, 52822}, 
     {" [ C25 H42 O S3, db=0.00, overall=41.59, mfg=83.18 ]", ""}}, 
   {536.4432, 14.740481, "Meta"} -> {{82717, 84963, 78391}, 
     {" [ C28 H61 Cl N4 O3, overall=39.84, mfg=79.68 ]", ""}}, 
   {574.461, 14.75, "Meta"} -> {{3062284, 3401655, 3419247}, 
     {" [ C37 H66 S2, db=0.00, overall=42.90, mfg=58.41 ]", ""}}, 
   {504.4182, 14.74825, "Meta"} -> {{1216212, 1386892, 1425289}, 
     {" [ C32 H56 O4, db=0.00, overall=39.20, mfg=78.39 ]", ""}}, 
   {396.3604, 14.750581, "Meta"} -> {{36057, 35034, 38431}, 
     {" [ C25 H48 O3, db=0.00, overall=44.24, mfg=88.49 ]", ""}}, 
   {556.471, 14.753844, "Meta"} -> {{238018, 207676, 249902}, 
     {" [ C33 H64 O6, db=0.00, overall=48.51, mfg=97.01 ]", ""}}, 
   {438.3716, 14.756166, "Meta"} -> {{263523, 282041, 295894}, 
     {" [ C27 H50 O4, db=0.00, overall=42.36, mfg=84.71 ]", ""}}, 
   {426.3712, 14.761703, "Meta"} -> {{86216, 93603, 97934}, 
     {"Hexacosanedioic acid [ C26 H50 O4, db=95.67, overall=95.83, mfg=96.00, \
Lipid ID=LMFA01170040, KEGG ID= ]", ""}}, {338.319, 14.768223, "Meta"} -> 
    {{294632, 300099, 316724}, {"2,4-dimethyl-2-eicosenoic acid [ C22 H42 O2, \
db=97.79, overall=98.03, mfg=98.27, Lipid ID=, KEGG ID= ]", ""}}, 
   {388.3346, 14.770242, "Meta"} -> {{121940, 128993, 139093}, 
     {"1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 / \
1beta,25-dihydroxy-3-deoxy-19-norcholecalciferol [ C26 H44 O2, db=62.01, \
overall=62.33, mfg=62.65, Lipid ID=LMST03020563, KEGG ID= ]", ""}}, 
   {776.5694, 14.765876, "Meta"} -> {{49399, 54865, 52365}, 
     {" [ C40 H80 N4 O8 S, db=0.00, overall=40.13, mfg=80.25 ]", ""}}, 
   {528.4176, 14.768614, "Meta"} -> {{303226, 1, 351618}, 
     {" [ C29 H57 Cl N4 O2, db=0.00, overall=34.29, mfg=68.58 ]", ""}}, 
   {636.462, 14.771293, "Meta"} -> {{71128, 71021, 77382}, 
     {" [ C39 H56 N8, overall=46.29, mfg=92.57 ]", ""}}, 
   {444.3447, 14.770737, "Meta"} -> {{63447, 59398, 61355}, 
     {" [ C25 H48 O6, db=0.00, overall=33.54, mfg=67.07 ]", ""}}, 
   {434.3762, 14.779639, "Meta"} -> {{177703, 189949, 191160}, 
     {"6-deoxoteasterone [ C28 H50 O3, db=72.73, overall=73.00, mfg=73.28, \
Lipid ID=LMST01030120, KEGG ID= ]", ""}}, {480.4178, 14.785806, "Meta"} -> 
    {{149405, 166905, 175521}, 
     {" [ C30 H56 O4, db=0.00, overall=43.62, mfg=87.24 ]", ""}}, 
   {352.3347, 14.788167, "Meta"} -> {{106325, 105994, 121039}, 
     {"14Z-tricosenoic acid [ C23 H44 O2, db=97.42, overall=97.52, mfg=97.62, \
Lipid ID=, KEGG ID= ]", ""}}, {424.2838, 14.78262, "Meta"} -> 
    {{294145, 237135, 179145}, {"2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5be\
ta-cholan-24-oic Acid [ C24 H40 O6, db=73.35, overall=73.99, mfg=74.62, Lipid \
ID=, KEGG ID= ]", ""}}, {276.1757, 14.799042, "Meta"} -> 
    {{44947, 21122, 1}, 
     {" [ C14 H28 O3 S, db=0.00, overall=36.39, mfg=72.77 ]", ""}}, 
   {596.4432, 14.79043, "Meta"} -> {{177947, 154013, 152098}, 
     {" [ C30 H65 Cl N4 O3 S, db=0.00, overall=30.86, mfg=61.73 ]", ""}}, 
   {580.507, 14.787779, "Meta"} -> {{642544, 1186452, 1287137}, 
     {"1-(9Z-hexadecenoyl)-2-heptadecanoyl-sn-glycerol [ C36 H68 O5, \
db=62.38, overall=63.21, mfg=64.05, KEGG ID=, CAS ID= ]", ""}}, 
   {474.3925, 14.800918, "Meta"} -> {{122919, 91532, 111431}, 
     {" [ C27 H54 O6, db=0.00, overall=47.00, mfg=94.01 ]", ""}}, 
   {550.4603, 14.807542, "Meta"} -> {{994248, 1305033, 1304013}, 
     {" [ C35 H66 S2, db=0.00, overall=44.35, mfg=88.70 ]", ""}}, 
   {458.3634, 14.807542, "Meta"} -> {{110551, 110898, 129848}, 
     {" [ C29 H50 N2 S, db=0.00, overall=41.58, mfg=83.17 ]", ""}}, 
   {620.297, 14.823675, "Meta"} -> {{797607, 656106, 795074}, 
     {" [ C25 H40 N12 O5 S, db=0.00, overall=47.03, mfg=47.54 ]", ""}}, 
   {658.5055, 14.829127, "Meta"} -> {{71388, 63788, 78677}, 
     {" [ C39 H70 N4 S2, db=0.00, overall=42.10, mfg=84.20 ]", ""}}, 
   {898.5645, 14.847846, "Meta"} -> {{1, 1, 1}, 
     {" [ C48 H82 O15, db=0.00, overall=44.88, mfg=89.77 ]", ""}}, 
   {710.5127, 14.840003, "Meta"} -> {{37632, 48057, 39330}, 
     {" [ C40 H67 Cl N8 O, db=0.00, overall=48.35, mfg=96.70 ]", ""}}, 
   {816.5617, 14.848998, "Meta"} -> {{228976, 218150, 1}, 
     {" [ C45 H76 N4 O9, db=0.00, overall=46.39, mfg=92.77 ]", ""}}, 
   {1491.0977, 14.843331, "Meta"} -> {{45956, 42122, 40516}, 
     {" [ C59 H25 N21 O27 S, db=0.00, overall=43.98, mfg=87.96 ]", ""}}, 
   {1409.0956, 14.845347, "Meta"} -> {{215110, 210249, 206913}, 
     {" [ C60 H23 N19 O23 S, db=0.00, overall=47.82, mfg=95.65 ]", ""}}, 
   {892.5467, 14.845569, "Meta"} -> {{24650, 22163, 19922}, 
     {" [ C45 H72 N12 O5 S, db=0.00, overall=46.94, mfg=93.89 ]", ""}}, 
   {921.6399, 14.844148, "Meta"} -> {{44447, 36256, 43871}, 
     {" [ C48 H91 N O15, db=0.00, overall=48.72, mfg=97.43 ]", ""}}, 
   {861.6184, 14.844324, "Meta"} -> {{64893, 53890, 58865}, 
     {"Galabiosylceramide (d18:1/16:0) [ C46 H87 N O13, db=96.06, \
overall=96.07, mfg=96.09, HMP ID=HMDB04833, KEGG ID= ]", ""}}, 
   {734.5591, 14.849666, "Meta"} -> {{2057866, 2021140, 1977924}, 
     {" [ C28 H62 N24, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {482.4329, 14.848923, "Meta"} -> {{30722, 32945, 36979}, 
     {"Triacontanedioic acid [ C30 H58 O4, db=73.77, overall=74.73, \
mfg=75.70, Lipid ID=LMFA01170042, KEGG ID= ]", ""}}, 
   {530.434, 14.862272, "Meta"} -> {{573557, 434570, 515130}, 
     {" [ C34 H58 O4, db=0.00, overall=47.35, mfg=94.70 ]", ""}}, 
   {410.3761, 14.855228, "Meta"} -> {{68990, 81599, 82100}, 
     {" [ C26 H50 O3, db=0.00, overall=46.42, mfg=92.85 ]", ""}}, 
   {470.3603, 14.867415, "Meta"} -> {{53970, 37798, 49055}, 
     {" [ C28 H54 O S2, db=0.00, overall=38.78, mfg=77.56 ]", ""}}, 
   {326.3189, 14.876637, "Meta"} -> {{38746, 37502, 55191}, 
     {"(+)-18-methyl-eicosanoic acid [ C21 H42 O2, db=83.80, overall=83.86, \
mfg=83.92, KEGG ID=, CAS ID= ]", ""}}, {518.4328, 14.869374, "Meta"} -> 
    {{131855, 1, 174085}, 
     {" [ C33 H58 O4, db=0.00, overall=42.79, mfg=85.57 ]", ""}}, 
   {364.3347, 14.869875, "Meta"} -> {{155757, 195782, 200738}, 
     {"5,9-tetracosadienoic acid [ C24 H44 O2, db=86.13, overall=87.34, \
mfg=88.55, KEGG ID=, CAS ID= ]", ""}}, {1435.1111, 14.887168, "Meta"} -> 
    {{79973, 82831, 80568}, 
     {" [ C55 H25 N25 O21 S2, db=0.00, overall=46.12, mfg=92.25 ]", ""}}, 
   {440.3871, 14.893251, "Meta"} -> {{301592, 371887, 372628}, 
     {" [ C27 H52 O4, db=0.00, overall=49.06, mfg=98.12 ]", ""}}, 
   {456.2553, 14.892139, "Meta"} -> {{560638, 698024, 575985}, 
     {"Sulfolithocholic acid [ C24 H40 O6 S, db=97.87, overall=98.22, \
mfg=44.88, KEGG ID=, CAS ID=34669-57-3 ]", "34669-57-3"}}, 
   {390.35, 14.895462, "Meta"} -> {{163081, 167878, 197112}, 
     {"5,9,19-hexacosatrienoic acid [ C26 H46 O2, db=93.07, overall=94.01, \
mfg=94.96, Lipid ID=, KEGG ID= ]", ""}}, {506.4338, 14.890211, "Meta"} -> 
    {{265600, 1, 356413}, 
     {" [ C32 H58 O4, db=0.00, overall=37.53, mfg=75.05 ]", ""}}, 
   {1461.1261, 14.909222, "Meta"} -> {{274197, 261020, 265653}, 
     {" [ C60 H27 N19 O28, db=0.00, overall=46.60, mfg=93.21 ]", ""}}, 
   {760.5752, 14.914668, "Meta"} -> {{2686299, 2818811, 2604884}, 
     {" [ C33 H72 N14 O6, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {1543.1287, 14.909751, "Meta"} -> {{41038, 38139, 35143}, {"", ""}}, 
   {692.4164, 14.911042, "Meta"} -> {{37768, 38987, 31333}, 
     {" [ C39 H65 Cl N2 O2 S2, db=0.00, overall=42.52, mfg=85.04 ]", ""}}, 
   {354.206, 14.905966, "Meta"} -> {{1, 67910, 82663}, 
     {"Idebenone Metabolite (Benzenedecanoic acid, \
2,5-dihydroxy-3,4-dimethoxy-6-methyl-) [ C19 H30 O6, db=60.60, overall=61.11, \
mfg=61.63, KEGG ID=, CAS ID=84978-42-7 ]", "84978-42-7"}}, 
   {842.5774, 14.917781, "Meta"} -> {{246503, 235594, 205017}, 
     {" [ C47 H78 N4 O9, db=0.00, overall=47.96, mfg=95.93 ]", ""}}, 
   {378.3503, 14.920301, "Meta"} -> {{214318, 241795, 255424}, 
     {"23-methyl-5Z,9Z-tetracosadienoic acid [ C25 H46 O2, db=89.95, \
overall=90.89, mfg=91.83, Lipid ID=, KEGG ID= ]", ""}}, 
   {576.4765, 14.920778, "Meta"} -> {{2907657, 4270593, 3410384}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol [ C36 H64 \
O5, db=72.09, overall=72.63, mfg=62.48, KEGG ID=, CAS ID= ]", ""}}, 
   {1213.8298, 14.93173, "Meta"} -> {{125960, 166888, 117085}, 
     {" [ C58 H103 N25 S2, db=0.00, overall=47.47, mfg=94.94 ]", ""}}, 
   {366.3503, 14.935958, "Meta"} -> {{75970, 79750, 76738}, 
     {"Nervonic acid [ C24 H46 O2, db=89.27, overall=90.47, mfg=91.68, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {699.5652, 14.944751, "Meta"} -> 
    {{12276, 11179, 15184}, {"Glucosylceramide (d18:1/16:0) [ C40 H77 N O8, \
db=87.49, overall=88.50, mfg=89.50, HMP ID=HMDB04971, KEGG ID= ]", ""}}, 
   {598.4577, 14.918143, "Meta"} -> {{1, 76330, 80990}, 
     {" [ C34 H58 N6 O3, db=0.00, overall=34.98, mfg=69.96 ]", ""}}, 
   {420.361, 14.9475765, "Meta"} -> {{73590, 81390, 84092}, 
     {"5-b-Cholestane-3a ,7a ,12a-triol [ C27 H48 O3, db=86.02, \
overall=87.15, mfg=88.29, HMP ID=HMDB01457, KEGG ID= ]", ""}}, 
   {436.3921, 14.946553, "Meta"} -> {{109200, 99075, 128654}, 
     {"19-oxo-22Z-octacosenoic acid [ C28 H52 O3, db=62.09, overall=62.07, \
mfg=62.06, Lipid ID=, KEGG ID= ]", ""}}, {1449.1265, 14.950082, "Meta"} -> 
    {{85782, 74710, 83968}, 
     {" [ C59 H27 N19 O28, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {460.3758, 14.958373, "Meta"} -> {{159862, 167004, 160086}, 
     {" [ C23 H44 N10, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {354.3506, 14.959889, "Meta"} -> {{842109, 896218, 908714}, 
     {"tricosanoic acid [ C23 H46 O2, db=98.63, overall=80.59, mfg=98.63, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {442.2396, 14.947963, "Meta"} -> {{28880, 19156, 14884}, 
     {" [ C24 H42 O S3, db=0.00, overall=42.75, mfg=85.50 ]", ""}}, 
   {584.5017, 14.960041, "Meta"} -> {{35111, 42484, 39594}, 
     {" [ C36 H72 O S2, db=0.00, overall=45.10, mfg=90.20 ]", ""}}, 
   {634.5168, 14.964001, "Meta"} -> {{72011, 101798, 89932}, 
     {" [ C36 H62 N10, db=0.00, overall=35.62, mfg=71.24 ]", ""}}, 
   {748.5746, 14.964833, "Meta"} -> {{844538, 825991, 817161}, 
     {" [ C29 H64 N24, db=0.00, overall=47.80, mfg=95.59 ]", ""}}, 
   {416.3676, 14.962889, "Meta"} -> {{182999, 194914, 187968}, 
     {"b-Tocopherol [ C28 H48 O2, db=85.90, overall=73.05, mfg=86.24, KEGG \
ID=, CAS ID=148-03-8 ]", "148-03-8"}}, {830.5771, 14.96814, "Meta"} -> 
    {{102853, 96803, 92193}, {" [ C46 H78 N4 O9, overall=47.63, mfg=95.25 ]", 
      ""}}, {552.4757, 14.950529, "Meta"} -> {{287443, 458456, 338556}, 
     {" [ C34 H64 O5, db=0.00, overall=48.56, mfg=97.12 ]", ""}}, 
   {384.3608, 14.9677515, "Meta"} -> {{25178, 24312, 36682}, 
     {"24-hydroxy-tetracosanoic acid [ C24 H48 O3, db=95.68, overall=95.89, \
mfg=96.10, Lipid ID=, KEGG ID= ]", ""}}, {569.5025, 14.966916, "Meta"} -> 
    {{53769, 54487, 56506}, {" [ C34 H67 N O5, overall=37.13, mfg=74.26 ]", 
      ""}}, {1434.2803, 14.974815, "Meta"} -> {{112802, 51594, 101048}, 
     {" [ C48 H46 N26 O26 S, db=0.00, overall=46.31, mfg=92.61 ]", ""}}, 
   {476.3871, 14.971923, "Meta"} -> {{63578, 71529, 68373}, 
     {" [ C30 H52 O4, db=0.00, overall=45.50, mfg=91.00 ]", ""}}, 
   {530.4341, 14.967251, "Meta"} -> {{449765, 1388313, 1341869}, {"", ""}}, 
   {412.3921, 14.974626, "Meta"} -> {{25763, 27909, 34151}, 
     {"2-hydroxy-hexacosanoic acid [ C26 H52 O3, db=97.54, overall=97.59, \
mfg=97.65, Lipid ID=, KEGG ID= ]", ""}}, {608.5019, 14.965333, "Meta"} -> 
    {{133241, 165105, 164048}, 
     {" [ C36 H74 Cl2 O2, db=0.00, overall=19.05, mfg=38.09 ]", ""}}, 
   {912.5799, 14.971814, "Meta"} -> {{18019, 16376, 16833}, 
     {" [ C49 H84 O15, db=0.00, overall=45.47, mfg=90.94 ]", ""}}, 
   {660.5212, 14.978165, "Meta"} -> {{57906, 57439, 53262}, 
     {" [ C35 H72 N4 O5 S, db=0.00, overall=47.23, mfg=94.46 ]", ""}}, 
   {556.4498, 14.980772, "Meta"} -> {{2101639, 2173297, 2302179}, 
     {" [ C36 H60 O4, db=0.00, overall=37.30, mfg=46.30 ]", ""}}, 
   {619.3039, 14.984561, "Meta"} -> {{29815, 1, 24939}, 
     {" [ C30 H53 N O6 S3, db=0.00, overall=45.63, mfg=91.26 ]", ""}}, 
   {513.2773, 14.981055, "Meta"} -> {{2023088, 2329829, 2180967}, 
     {"Sulfolithocholylglycine [ C26 H43 N O7 S, db=95.93, overall=97.34, \
mfg=95.56, HMP ID=HMDB02639, KEGG ID= ]", ""}}, 
   {535.2584, 14.982888, "Meta"} -> {{80033, 81615, 59295}, 
     {" [ C24 H37 N7 O5 S, db=0.00, overall=46.24, mfg=92.48 ]", ""}}, 
   {508.4492, 14.9817095, "Meta"} -> {{91851, 109074, 109239}, 
     {" [ C32 H60 O4, db=0.00, overall=30.57, mfg=46.88 ]", ""}}, 
   {786.5901, 14.995773, "Meta"} -> {{174762, 178821, 170744}, 
     {" [ C46 H74 N8 O3, db=0.00, overall=47.42, mfg=94.83 ]", ""}}, 
   {580.4476, 15.004034, "Meta"} -> {{1, 72584, 69561}, 
     {" [ C34 H64 N2 O S2, db=0.00, overall=34.56, mfg=69.11 ]", ""}}, 
   {312.1763, 14.9936, "Meta"} -> {{659757, 470482, 769926}, 
     {" [ C17 H28 O3 S, db=0.00, overall=49.67, mfg=99.35 ]", ""}}, 
   {402.3515, 14.992793, "Meta"} -> {{33635, 34238, 32854}, 
     {"27-Hydroxycholesterol [ C27 H46 O2, db=51.32, overall=25.66, HMP \
ID=HMDB02103, KEGG ID= ]", ""}}, {340.3347, 14.997696, "Meta"} -> 
    {{248286, 234630, 307753}, {"calcifediol [ C22 H44 O2, db=98.60, \
overall=98.61, mfg=98.62, KEGG ID=, CAS ID=63283-36-3 ]", "63283-36-3"}}, 
   {702.3001, 15.004833, "Meta"} -> {{35851, 28182, 34453}, 
     {" [ C28 H46 N8 O11 S, db=0.00, overall=47.06, mfg=94.12 ]", ""}}, 
   {596.2973, 15.012134, "Meta"} -> {{1077544, 850296, 1063687}, 
     {" [ C30 H40 N6 O7, db=0.00, overall=47.11, mfg=94.23 ]", ""}}, 
   {622.5008, 15.002376, "Meta"} -> {{117111, 64246, 117673}, 
     {" [ C39 H66 N4 S, db=0.00, overall=38.25, mfg=76.50 ]", ""}}, 
   {578.4919, 15.004127, "Meta"} -> {{2365077, 2609404, 2614488}, 
     {"1-(9Z-hexadecenoyl)-2-(9Z-heptadecenoyl)-sn-glycerol [ C36 H66 O5, \
db=81.05, overall=82.48, mfg=38.79, KEGG ID=, CAS ID= ]", ""}}, 
   {454.4018, 15.009334, "Meta"} -> {{51875, 48525, 54970}, 
     {" [ C28 H54 O4, db=0.00, overall=45.00, mfg=90.00 ]", ""}}, 
   {620.2974, 15.011921, "Meta"} -> {{3098937, 2437167, 4187290}, 
     {" [ C20 H44 N8 O14, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {774.5902, 15.018001, "Meta"} -> {{61282, 63396, 62831}, 
     {" [ C41 H82 N4 O7 S, db=0.00, overall=48.17, mfg=96.35 ]", ""}}, 
   {392.366, 15.017344, "Meta"} -> {{351134, 335177, 374691}, 
     {"17,20-hexacosadienoic acid [ C26 H48 O2, db=96.81, overall=97.06, \
mfg=97.30, Lipid ID=, KEGG ID= ]", ""}}, {472.3759, 15.021379, "Meta"} -> 
    {{88928, 94029, 87595}, 
     {" [ C27 H52 O6, db=0.00, overall=45.69, mfg=91.37 ]", ""}}, 
   {366.3506, 15.024555, "Meta"} -> {{617560, 645508, 672698}, 
     {"Nervonic acid [ C24 H46 O2, db=97.49, overall=78.58, mfg=97.88, KEGG \
ID=, CAS ID=506-37-6 ]", "506-37-6"}}, {428.3682, 15.022958, "Meta"} -> 
    {{47930, 40940, 53143}, {"25-hydroxy-26,27-dimethylvitamin D3 / \
25-hydroxy-26,27-dimethylcholecalciferol [ C29 H48 O2, db=76.84, \
overall=77.29, mfg=77.74, Lipid ID=LMST03020416, KEGG ID= ]", ""}}, 
   {558.4655, 15.02703, "Meta"} -> {{7940259, 8552815, 8745069}, 
     {" [ C36 H62 O4, db=0.00, overall=49.54, mfg=99.09 ]", ""}}, 
   {610.5174, 15.0221405, "Meta"} -> {{144342, 179059, 181051}, 
     {" [ C37 H70 O6, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {719.4901, 15.035293, "Meta"} -> {{30746, 38159, 34442}, 
     {" [ C41 H76 Cl3 N O2, db=0.00, overall=23.37, mfg=46.74 ]", ""}}, 
   {1322.8643, 15.047077, "Meta"} -> {{144724, 100910, 110635}, 
     {" [ C60 H110 N26 O4 S2, db=0.00, overall=48.00, mfg=96.00 ]", ""}}, 
   {686.5372, 15.044959, "Meta"} -> {{53642, 56657, 53418}, 
     {" [ C40 H71 Cl N6 O, db=0.00, overall=44.31, mfg=88.63 ]", ""}}, 
   {1465.1576, 15.059333, "Meta"} -> {{429218, 389782, 423293}, 
     {" [ C60 H31 N19 O28, db=0.00, overall=47.04, mfg=94.08 ]", ""}}, 
   {737.5007, 15.052041, "Meta"} -> {{273594, 447267, 283598}, 
     {" [ C39 H77 Cl2 N3 O3 S, overall=27.38, mfg=54.76 ]", ""}}, 
   {380.3659, 15.051577, "Meta"} -> {{230637, 258044, 283901}, 
     {"17Z-pentacosenoic acid [ C25 H48 O2, db=84.36, overall=85.39, \
mfg=86.43, Lipid ID=, KEGG ID= ]", ""}}, {1547.1582, 15.061807, "Meta"} -> 
    {{35792, 31345, 30741}, {"", ""}}, {674.406, 15.07954, "Meta"} -> 
    {{77173, 43391, 68308}, 
     {" [ C37 H64 Cl2 O6, db=0.00, overall=38.35, mfg=76.69 ]", ""}}, 
   {762.5907, 15.062805, "Meta"} -> {{3515461, 3493464, 3491900}, 
     {" [ C30 H66 N24, db=0.00, overall=48.73, mfg=97.45 ]", ""}}, 
   {792.5994, 15.063402, "Meta"} -> {{1, 55683, 59811}, 
     {" [ C53 H80 N2 O S, db=0.00, overall=37.94, mfg=75.88 ]", ""}}, 
   {602.4748, 15.070626, "Meta"} -> {{1, 67445, 85310}, 
     {" [ C35 H70 O3 S2, db=0.00, overall=30.90, mfg=61.80 ]", ""}}, 
   {368.3657, 15.076442, "Meta"} -> {{91756, 93914, 100024}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=98.96, overall=98.97, \
mfg=98.98, KEGG ID=, CAS ID= ]", ""}}, {522.3924, 15.09471, "Meta"} -> 
    {{1, 41665, 1}, {" [ C31 H54 O6, overall=42.77, mfg=85.55 ]", ""}}, 
   {608.4326, 15.080034, "Meta"} -> {{55257, 71413, 43484}, 
     {" [ C33 H68 O3 S3, overall=45.27, mfg=90.53 ]", ""}}, 
   {686.41, 15.08816, "Meta"} -> {{44207, 37315, 40419}, 
     {" [ C38 H62 N4 O S3, db=0.00, overall=42.55, mfg=85.09 ]", ""}}, 
   {483.3021, 15.091075, "Meta"} -> {{83139, 68741, 53967}, 
     {"Lithocholic acid taurine conjugate [ C26 H45 N O5 S, db=94.31, \
overall=94.51, mfg=94.71, HMP ID=HMDB00722, KEGG ID= ]", ""}}, 
   {560.4804, 15.112883, "Meta"} -> {{3026149, 1521782, 3068243}, 
     {" [ C36 H64 O4, db=0.00, overall=45.21, mfg=90.42 ]", ""}}, 
   {446.3761, 15.095845, "Meta"} -> {{50474, 48553, 50939}, 
     {" [ C29 H50 O3, db=0.00, overall=44.82, mfg=89.63 ]", ""}}, 
   {837.5528, 15.104291, "Meta"} -> {{54844, 58637, 53874}, 
     {" [ C35 H63 N23 O2, db=0.00, overall=32.27, mfg=64.54 ]", ""}}, 
   {1491.1719, 15.103206, "Meta"} -> {{59580, 47223, 50918}, {"", ""}}, 
   {477.2859, 15.116943, "Meta"} -> {{104660, 98679, 115709}, 
     {"Arg Phe Arg [ C21 H35 N9 O4, db=62.39, overall=63.29, mfg=64.19 ]", 
      ""}}, {813.5515, 15.1265, "Meta"} -> {{134270, 147095, 132264}, 
     {" [ C47 H71 N7 O5, db=0.00, overall=48.63, mfg=97.27 ]", ""}}, 
   {1517.1859, 15.113335, "Meta"} -> {{37088, 32974, 35297}, {"", ""}}, 
   {520.3762, 15.133911, "Meta"} -> {{69678, 21980, 72774}, 
     {" [ C27 H49 Cl N8, db=0.00, overall=39.50, mfg=78.99 ]", ""}}, 
   {689.5001, 15.118943, "Meta"} -> {{249596, 255759, 279693}, 
     {" [ C33 H63 N13 O S, db=0.00, overall=47.35, mfg=94.71 ]", ""}}, 
   {354.3501, 15.121616, "Meta"} -> {{31693, 30027, 52109}, 
     {"tricosanoic acid [ C23 H46 O2, db=91.36, overall=91.78, mfg=92.19, \
KEGG ID=, CAS ID=2433-96-7 ]", "2433-96-7"}}, 
   {745.5052, 15.120876, "Meta"} -> {{291931, 309083, 331219}, 
     {" [ C31 H59 N19 O3, db=0.00, overall=33.80, mfg=67.60 ]", ""}}, 
   {788.6058, 15.131389, "Meta"} -> {{1269220, 1165689, 1221327}, 
     {" [ C32 H68 N24, db=0.00, overall=48.34, mfg=96.67 ]", ""}}, 
   {430.3817, 15.119616, "Meta"} -> {{411552, 400403, 529169}, 
     {"toxisterol_3 B1/ (5E)-(10R)-10-ethoxy-10,19-dihydrovitamin D3 / \
(5E)-(10R)-10-ethoxy-10,19-dihydroch [ C29 H50 O2, db=99.19, overall=99.28, \
mfg=99.36, Lipid ID=LMST03020441, KEGG ID= ]", ""}}, 
   {476.3689, 15.148889, "Meta"} -> {{27041, 19986, 25971}, 
     {" [ C27 H56 O2 S2, db=0.00, overall=45.31, mfg=90.62 ]", ""}}, 
   {845.5176, 15.135285, "Meta"} -> {{37840, 35755, 39382}, 
     {" [ C42 H79 N5 O6 S3, db=0.00, overall=39.01, mfg=78.02 ]", ""}}, 
   {620.2967, 15.118854, "Meta"} -> {{2401608, 1583360, 1408505}, 
     {" [ C32 H40 N6 O7, db=0.00, overall=47.39, mfg=94.78 ]", ""}}, 
   {1492.1003, 15.130623, "Meta"} -> {{69862, 62691, 66398}, {"", ""}}, 
   {721.5043, 15.132168, "Meta"} -> {{2337465, 2434668, 2533075}, 
     {" [ C42 H73 Cl2 N3 O2, db=0.00, overall=31.37, mfg=62.74 ]", ""}}, 
   {490.3846, 15.148723, "Meta"} -> {{1169900, 992919, 1079831}, 
     {" [ C23 H50 N6 O5, overall=48.50, mfg=96.99 ]", ""}}, 
   {709.5045, 15.130291, "Meta"} -> {{199837, 169615, 175492}, 
     {" [ C35 H75 N5 O3 S3, db=0.00, overall=40.72, mfg=81.45 ]", ""}}, 
   {863.5679, 15.147346, "Meta"} -> {{100773, 107381, 94824}, 
     {" [ C52 H69 N11 O, db=0.00, overall=34.87, mfg=69.74 ]", ""}}, 
   {530.2898, 15.155517, "Meta"} -> {{34289, 19108, 1}, 
     {" [ C31 H46 O3 S2, db=0.00, overall=38.23, mfg=76.46 ]", ""}}, 
   {596.2964, 15.126036, "Meta"} -> {{307168, 1, 184065}, 
     {" [ C23 H40 N12 O5 S, db=0.00, overall=46.35, mfg=92.70 ]", ""}}, 
   {763.5164, 15.139668, "Meta"} -> {{1.97*^7, 2.19*^7, 2.05*^7}, 
     {" [ C32 H57 N23, overall=46.20, mfg=92.41 ]", ""}}, 
   {685.5045, 15.136334, "Meta"} -> {{48582, 42254, 45089}, 
     {" [ C37 H71 N3 O6 S, db=0.00, overall=38.62, mfg=77.24 ]", ""}}, 
   {578.4311, 15.101293, "Meta"} -> {{135847, 15020, 128585}, {"", ""}}, 
   {727.516, 15.134124, "Meta"} -> {{45376, 43509, 45576}, 
     {" [ C36 H73 N9 S3, overall=40.01, mfg=80.02 ]", ""}}, 
   {697.5045, 15.136791, "Meta"} -> {{153657, 155353, 181696}, 
     {" [ C42 H71 N3 O S2, overall=43.56, mfg=87.11 ]", ""}}, 
   {588.3818, 15.156437, "Meta"} -> {{26394, 1, 16298}, 
     {" [ C31 H60 N2 O2 S3, db=0.00, overall=35.59, mfg=71.18 ]", ""}}, 
   {612.5316, 15.139419, "Meta"} -> {{145965, 144837, 165004}, 
     {" [ C34 H64 N10, db=0.00, overall=48.92, mfg=97.85 ]", ""}}, 
   {1466.0833, 15.137082, "Meta"} -> {{85595, 71132, 68296}, {"", ""}}, 
   {771.5202, 15.1415415, "Meta"} -> {{1, 453866, 530730}, 
     {" [ C41 H65 N13 S, overall=42.60, mfg=85.19 ]", ""}}, 
   {486.2801, 15.154388, "Meta"} -> {{45351, 31321, 21550}, 
     {" [ C29 H42 O4 S, db=0.00, overall=42.72, mfg=85.44 ]", ""}}, 
   {888.7205, 15.159641, "Meta"} -> {{54291, 40312, 45872}, 
     {"TG(17:2(9Z,12Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6] [ C58 H96 O6, \
db=87.96, overall=88.66, mfg=89.36, Lipid ID=LMGL03010614, KEGG ID= ]", ""}}, 
   {1442.0824, 15.147125, "Meta"} -> {{36780, 19360, 32637}, {"", ""}}, 
   {733.5052, 15.1295, "Meta"} -> {{399076, 196272, 415611}, 
     {" [ C49 H68 Cl N3, db=0.00, overall=26.13, mfg=52.26 ]", ""}}, 
   {793.5617, 15.14754, "Meta"} -> {{182667, 147661, 153964}, 
     {" [ C48 H79 N3 O2 S2, db=0.00, overall=44.99, mfg=89.99 ]", ""}}, 
   {821.5191, 15.153361, "Meta"} -> {{35459, 29412, 24928}, 
     {" [ C41 H83 N5 O S5, db=0.00, overall=44.10, mfg=88.20 ]", ""}}, 
   {572.2961, 15.1562, "Meta"} -> {{104466, 92310, 125639}, 
     {" [ C21 H40 N12 O5 S, db=0.00, overall=47.08, mfg=94.16 ]", ""}}, 
   {776.6041, 15.16364, "Meta"} -> {{116031, 82555, 98261}, 
     {" [ C45 H76 N8 O3, db=0.00, overall=48.43, mfg=96.87 ]", ""}}, 
   {911.5881, 15.151708, "Meta"} -> {{70636, 110266, 78581}, 
     {" [ C45 H93 N5 O3 S5, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {739.5147, 15.154385, "Meta"} -> {{1.63*^7, 1.75*^7, 1.69*^7}, 
     {" [ C36 H78 Cl N7 S3, overall=37.71, mfg=75.41 ]", ""}}, 
   {394.3811, 15.151882, "Meta"} -> {{209209, 189301, 193845}, 
     {"Ximenic acid [ C26 H50 O2, db=95.22, overall=95.68, mfg=96.14, Lipid \
ID=LMFA01030095, KEGG ID= ]", ""}}, {715.5155, 15.1598215, "Meta"} -> 
    {{8843677, 8780669, 8591963}, {"GPEtn(16:0/18:2(9Z,12Z)) [ C39 H74 N O8 \
P, db=98.44, overall=49.22, Lipid ID=LMGP02010042, KEGG ID= ]", ""}}, 
   {1277.0238, 15.160793, "Meta"} -> {{96831, 99113, 108193}, 
     {" [ C60 H19 N11 O20 S2, db=0.00, overall=44.28, mfg=88.57 ]", ""}}, 
   {597.5335, 15.161653, "Meta"} -> {{181561, 160590, 169354}, 
     {" [ C36 H71 N O5, db=0.00, overall=49.76, mfg=99.51 ]", ""}}, 
   {851.5682, 15.173248, "Meta"} -> {{27396, 30470, 32815}, 
     {" [ C43 H81 N9 O2 S3, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {638.5484, 15.164581, "Meta"} -> {{104739, 106299, 113034}, 
     {" [ C39 H74 O6, db=0.00, overall=47.94, mfg=95.88 ]", ""}}, 
   {398.2344, 15.146215, "Meta"} -> {{24245, 14440, 30243}, 
     {" [ C18 H38 O7 S, overall=41.09, mfg=82.17 ]", ""}}, 
   {627.5448, 15.1675825, "Meta"} -> {{15406, 12172, 14918}, 
     {" [ C38 H77 N O S2, db=0.00, overall=42.87, mfg=85.75 ]", ""}}, 
   {759.5208, 15.16525, "Meta"} -> {{54014, 66095, 64571}, 
     {" [ C43 H73 N3 O6 S, db=0.00, overall=43.24, mfg=86.48 ]", ""}}, 
   {558.4655, 15.195879, "Meta"} -> {{1, 1, 1}, 
     {" [ C35 H68 Cl2, db=0.00, overall=21.50, mfg=35.69 ]", ""}}, 
   {765.5313, 15.180276, "Meta"} -> {{4987397, 3522165, 4675346}, 
     {" [ C31 H63 N19 O4, db=0.00, overall=45.79, mfg=91.59 ]", ""}}, 
   {797.5263, 15.1675825, "Meta"} -> {{33970, 27621, 28046}, 
     {" [ C43 H75 N O12, db=0.00, overall=46.10, mfg=92.20 ]", ""}}, 
   {747.6444, 15.17754, "Meta"} -> {{166543, 172532, 163599}, 
     {" [ C40 H85 N5 O7, db=0.00, overall=40.35, mfg=80.71 ]", ""}}, 
   {501.2865, 15.174759, "Meta"} -> {{33761, 32260, 46384}, 
     {"Fexofenadine [ C32 H39 N O4, db=90.49, overall=90.51, mfg=90.53, KEGG \
ID=C06999, CAS ID=83799-24-0 ]", "83799-24-0"}}, 
   {789.5334, 15.170924, "Meta"} -> {{1877505, 1937103, 1820382}, 
     {" [ C38 H63 N17 O2, db=0.00, overall=48.85, mfg=97.69 ]", ""}}, 
   {829.5241, 15.190729, "Meta"} -> {{1, 1, 1}, 
     {" [ C38 H71 N9 O11, db=0.00, overall=31.14, mfg=62.29 ]", ""}}, 
   {747.5202, 15.185001, "Meta"} -> {{6815969, 4138896, 6654981}, 
     {" [ C39 H65 N13 S, overall=46.19, mfg=92.39 ]", ""}}, 
   {839.5693, 15.199999, "Meta"} -> {{908034, 884406, 848444}, 
     {" [ C35 H65 N23 O2, db=0.00, overall=34.27, mfg=68.53 ]", ""}}, 
   {673.5053, 15.172292, "Meta"} -> {{69395, 64891, 73242}, 
     {" [ C40 H63 N7 O2, db=0.00, overall=44.53, mfg=89.06 ]", ""}}, 
   {777.5326, 15.176791, "Meta"} -> {{156654, 149228, 159047}, 
     {" [ C42 H80 Cl N O7 S, db=0.00, overall=41.87, mfg=83.73 ]", ""}}, 
   {815.5687, 15.208057, "Meta"} -> {{331368, 315740, 317773}, 
     {" [ C48 H69 N11 O, db=0.00, overall=47.85, mfg=95.71 ]", ""}}, 
   {703.5159, 15.175709, "Meta"} -> {{31164, 30164, 29570}, 
     {" [ C41 H65 N7 O3, db=0.00, overall=44.34, mfg=88.67 ]", ""}}, 
   {921.5723, 15.2035, "Meta"} -> {{14101, 11980, 11834}, 
     {" [ C46 H83 N9 O4 S3, db=0.00, overall=43.11, mfg=86.21 ]", ""}}, 
   {827.5683, 15.186919, "Meta"} -> {{34518, 36702, 29907}, 
     {" [ C44 H81 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {382.3818, 15.185084, "Meta"} -> {{205262, 179342, 198232}, 
     {"pentacosanoic acid [ C25 H50 O2, db=97.95, overall=97.96, mfg=97.98, \
KEGG ID=, CAS ID=506-38-7 ]", "506-38-7"}}, {803.5687, 15.225484, "Meta"} -> 
    {{30134, 24039, 30879}, 
     {" [ C39 H81 N9 O2 S3, db=0.00, overall=43.10, mfg=86.21 ]", ""}}, 
   {608.4327, 15.18904, "Meta"} -> {{28092, 28703, 23057}, 
     {" [ C33 H68 O3 S3, overall=44.62, mfg=89.23 ]", ""}}, 
   {865.5847, 15.241891, "Meta"} -> {{630855, 608163, 587646}, 
     {" [ C47 H83 N3 O9 S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {715.5164, 15.1938, "Meta"} -> {{57811, 65987, 63493}, 
     {" [ C38 H73 N3 O7 S, overall=47.71, mfg=95.42 ]", ""}}, 
   {841.5847, 15.260334, "Meta"} -> {{1280513, 1176655, 927436}, 
     {" [ C35 H67 N23 O2, db=0.00, overall=49.01, mfg=98.02 ]", ""}}, 
   {723.5213, 15.22514, "Meta"} -> {{3878151, 3039935, 3848313}, 
     {" [ C32 H69 N9 O9, db=0.00, overall=46.74, mfg=93.48 ]", ""}}, 
   {368.3658, 15.23686, "Meta"} -> {{22644, 19432, 34529}, 
     {"22-methyl-tricosanoic acid [ C24 H48 O2, db=87.94, overall=88.34, \
mfg=88.74, KEGG ID=, CAS ID= ]", ""}}, {699.5215, 15.240917, "Meta"} -> 
    {{479772, 430940, 445789}, 
     {" [ C42 H65 N7 O2, db=0.00, overall=46.82, mfg=93.64 ]", ""}}, 
   {1599.146, 15.281029, "Meta"} -> {{117434, 110742, 110567}, {"", ""}}, 
   {773.5375, 15.250973, "Meta"} -> {{912691, 919323, 918743}, 
     {" [ C44 H75 N3 O6 S, overall=44.84, mfg=89.68 ]", ""}}, 
   {1575.1469, 15.305637, "Meta"} -> {{263181, 252982, 248243}, {"", ""}}, 
   {817.5852, 15.31189, "Meta"} -> {{2660147, 2435276, 2369089}, 
     {" [ C36 H75 N13 O8, db=0.00, overall=49.08, mfg=98.15 ]", ""}}, 
   {781.5626, 15.2786665, "Meta"} -> {{29867, 28046, 30385}, 
     {" [ C47 H71 N7 O3, db=0.00, overall=48.49, mfg=96.99 ]", ""}}, 
   {749.5369, 15.270835, "Meta"} -> {{4443201, 4460089, 4481695}, 
     {" [ C34 H71 N9 O9, db=0.00, overall=46.86, mfg=93.71 ]", ""}}, 
   {725.5363, 15.276562, "Meta"} -> {{1173938, 1117267, 1219550}, 
     {" [ C44 H67 N7 O2, db=0.00, overall=47.74, mfg=95.49 ]", ""}}, 
   {717.532, 15.2781105, "Meta"} -> {{336456, 345575, 351380}, 
     {"GPEtn(18:0/18:1(11Z)) [ C39 H76 N O8 P, db=97.44, overall=48.72, Lipid \
ID=LMGP02010010, KEGG ID= ]", ""}}, {761.5369, 15.2850895, "Meta"} -> 
    {{149592, 144525, 149910}, 
     {" [ C32 H63 N19 O3, db=0.00, overall=33.61, mfg=67.22 ]", ""}}, 
   {608.4333, 15.281396, "Meta"} -> {{63778, 55588, 52751}, 
     {" [ C33 H68 O3 S3, overall=43.73, mfg=87.46 ]", ""}}, 
   {396.3975, 15.293557, "Meta"} -> {{99616, 93847, 104709}, 
     {"Cerotic acid [ C26 H52 O2, db=98.25, overall=98.25, mfg=98.25, KEGG \
ID=, CAS ID=506-46-7 ]", "506-46-7"}}, {799.5521, 15.296666, "Meta"} -> 
    {{28170, 30211, 28470}, 
     {" [ C46 H77 N3 O6 S, db=0.00, overall=40.16, mfg=80.32 ]", ""}}, 
   {737.5373, 15.302804, "Meta"} -> {{290757, 282180, 305757}, 
     {" [ C41 H75 N3 O6 S, db=0.00, overall=48.09, mfg=96.18 ]", ""}}, 
   {791.5482, 15.309162, "Meta"} -> {{1198995, 1263349, 1204549}, 
     {" [ C44 H77 N3 O7 S, overall=48.77, mfg=97.54 ]", ""}}, 
   {805.5818, 15.334043, "Meta"} -> {{43704, 39160, 41334}, 
     {" [ C46 H83 N3 O4 S2, overall=45.72, mfg=91.44 ]", ""}}, 
   {713.5367, 15.318207, "Meta"} -> {{40007, 42223, 39512}, 
     {" [ C43 H67 N7 O2, db=0.00, overall=47.58, mfg=95.15 ]", ""}}, 
   {867.6003, 15.354305, "Meta"} -> {{229074, 434359, 388932}, 
     {" [ C52 H73 N11 O, db=0.00, overall=46.91, mfg=93.82 ]", ""}}, 
   {767.5477, 15.329054, "Meta"} -> {{2867137, 3043987, 2982250}, 
     {"GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] [ C43 H78 N O8 P, db=96.93, \
overall=48.46, Lipid ID=LMGP02010027, KEGG ID= ]", ""}}, 
   {639.5269, 15.332208, "Meta"} -> {{72256, 73682, 72348}, 
     {" [ C39 H69 N5 S, db=0.00, overall=48.17, mfg=96.34 ]", ""}}, 
   {743.5484, 15.340832, "Meta"} -> {{1751283, 1848800, 1864074}, 
     {"GPEtn(18:1(11Z)/18:1(9Z))[U] [ C41 H78 N O8 P, db=96.57, \
overall=48.28, Lipid ID=LMGP02010034, KEGG ID= ]", ""}}, 
   {855.6002, 15.376174, "Meta"} -> {{44538, 46737, 32554}, 
     {" [ C54 H81 N O7, db=0.00, overall=45.43, mfg=90.86 ]", ""}}, 
   {843.6008, 15.382636, "Meta"} -> {{1191485, 1038697, 1008612}, 
     {" [ C35 H69 N23 O2, db=0.00, overall=48.92, mfg=97.84 ]", ""}}, 
   {763.5521, 15.346124, "Meta"} -> {{88358, 103237, 85776}, 
     {" [ C47 H77 N3 O S2, db=0.00, overall=44.47, mfg=88.93 ]", ""}}, 
   {825.5895, 15.356055, "Meta"} -> {{103995, 93958, 92579}, 
     {" [ C41 H84 Cl N5 O9, db=0.00, overall=29.66, mfg=59.32 ]", ""}}, 
   {801.5881, 15.395712, "Meta"} -> {{56303, 56062, 58368}, 
     {" [ C40 H83 N9 O S3, db=0.00, overall=38.58, mfg=77.16 ]", ""}}, 
   {625.5652, 15.356792, "Meta"} -> {{27176, 18718, 20381}, 
     {" [ C39 H71 N5 O, overall=47.22, mfg=94.43 ]", ""}}, 
   {701.537, 15.357999, "Meta"} -> {{212394, 209342, 221034}, 
     {" [ C38 H75 N3 O6 S, overall=44.67, mfg=89.34 ]", ""}}, 
   {851.6052, 15.394221, "Meta"} -> {{61592, 53495, 54935}, 
     {" [ C47 H86 Cl N5 O4 S, db=0.00, overall=31.57, mfg=63.13 ]", ""}}, 
   {650.5133, 15.360749, "Meta"} -> {{98284, 99094, 101343}, 
     {" [ C40 H66 N4 O3, db=0.00, overall=48.61, mfg=97.21 ]", ""}}, 
   {831.6, 15.407639, "Meta"} -> {{67139, 80125, 66276}, 
     {" [ C44 H85 N3 O9 S, db=0.00, overall=48.55, mfg=97.10 ]", ""}}, 
   {793.5651, 15.365575, "Meta"} -> {{302338, 320924, 336260}, 
     {" [ C44 H79 N3 O7 S, db=0.00, overall=49.02, mfg=98.04 ]", ""}}, 
   {775.5536, 15.380444, "Meta"} -> {{1544717, 1578695, 1607096}, 
     {" [ C37 H77 N9 O4 S2, db=0.00, overall=39.32, mfg=78.64 ]", ""}}, 
   {1579.1783, 15.407874, "Meta"} -> {{116486, 110112, 107097}, {"", ""}}, 
   {819.6009, 15.44339, "Meta"} -> {{1961753, 1817812, 1745345}, 
     {" [ C36 H77 N13 O8, db=0.00, overall=48.94, mfg=97.87 ]", ""}}, 
   {769.5627, 15.400239, "Meta"} -> {{282432, 275378, 304017}, 
     {" [ C39 H71 N13 O S, db=0.00, overall=47.63, mfg=95.25 ]", ""}}, 
   {751.5522, 15.401585, "Meta"} -> {{4284528, 4563645, 4626591}, 
     {"GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) [ C43 H78 N O7 P, db=96.87, \
overall=48.43, Lipid ID=LMGP02020006, KEGG ID= ]", ""}}, 
   {651.581, 15.41496, "Meta"} -> {{25088, 22782, 23174}, 
     {" [ C41 H81 N S2, db=0.00, overall=45.87, mfg=91.74 ]", ""}}, 
   {783.5783, 15.416417, "Meta"} -> {{37843, 37675, 41653}, 
     {" [ C47 H73 N7 O3, db=0.00, overall=47.68, mfg=95.36 ]", ""}}, 
   {893.616, 15.455141, "Meta"} -> {{212036, 210348, 195380}, 
     {" [ C49 H87 N3 O9 S, db=0.00, overall=48.80, mfg=97.60 ]", ""}}, 
   {727.5528, 15.416835, "Meta"} -> {{756912, 825367, 789425}, 
     {" [ C40 H77 N3 O6 S, db=0.00, overall=46.93, mfg=93.86 ]", ""}}, 
   {676.5288, 15.428628, "Meta"} -> {{290742, 316280, 314288}, 
     {" [ C41 H72 O7, db=0.00, overall=48.33, mfg=96.66 ]", ""}}, 
   {626.5129, 15.436, "Meta"} -> {{120698, 123982, 125764}, 
     {" [ C37 H70 O7, db=0.00, overall=48.97, mfg=97.93 ]", ""}}, 
   {777.5687, 15.436297, "Meta"} -> {{659646, 722213, 738729}, 
     {" [ C44 H79 N3 O6 S, db=0.00, overall=47.98, mfg=95.97 ]", ""}}, 
   {869.6164, 15.477807, "Meta"} -> {{1087172, 1023293, 892213}, 
     {" [ C40 H79 N13 O8, db=0.00, overall=48.95, mfg=97.90 ]", ""}}, 
   {609.5705, 15.450333, "Meta"} -> {{34012, 30059, 31562}, 
     {" [ C39 H71 N5, db=0.00, overall=47.18, mfg=94.35 ]", ""}}, 
   {745.5635, 15.455804, "Meta"} -> {{303113, 313140, 334239}, 
     {" [ C40 H79 N3 O7 S, overall=49.03, mfg=98.06 ]", ""}}, 
   {795.5783, 15.454666, "Meta"} -> {{124115, 137679, 132670}, 
     {" [ C41 H73 N13 O S, db=0.00, overall=48.91, mfg=97.82 ]", ""}}, 
   {845.6168, 15.529714, "Meta"} -> {{3187322, 2958829, 2740810}, 
     {" [ C38 H79 N13 O8, db=0.00, overall=49.09, mfg=98.17 ]", ""}}, 
   {652.529, 15.490202, "Meta"} -> {{564780, 596103, 624708}, 
     {" [ C39 H72 O7, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {703.6116, 15.499458, "Meta"} -> {{64350, 57816, 68521}, 
     {" [ C44 H81 N O5, db=0.00, overall=49.24, mfg=98.49 ]", ""}}, 
   {702.5451, 15.507584, "Meta"} -> {{252632, 277742, 276557}, 
     {" [ C44 H70 N4 O3, db=0.00, overall=49.42, mfg=98.85 ]", ""}}, 
   {667.5581, 15.520125, "Meta"} -> {{157321, 155204, 177607}, 
     {" [ C40 H77 N O4 S, db=0.00, overall=49.12, mfg=98.24 ]", ""}}, 
   {870.6842, 15.537138, "Meta"} -> {{406459, 354776, 370061}, 
     {" [ C48 H94 N4 O7 S, db=0.00, overall=48.68, mfg=97.37 ]", ""}}, 
   {853.6208, 15.534765, "Meta"} -> {{91896, 90786, 85306}, 
     {" [ C44 H79 N13 O2 S, db=0.00, overall=45.72, mfg=91.45 ]", ""}}, 
   {678.5448, 15.532237, "Meta"} -> {{1111553, 1151758, 1270046}, 
     {" [ C42 H70 N4 O3, overall=48.48, mfg=96.96 ]", ""}}, 
   {729.5681, 15.532479, "Meta"} -> {{1, 1, 128977}, 
     {" [ C40 H79 N3 O6 S, db=0.00, overall=43.73, mfg=87.46 ]", ""}}, 
   {895.6315, 15.572333, "Meta"} -> {{241799, 251002, 226208}, 
     {" [ C46 H81 N13 O3 S, db=0.00, overall=48.22, mfg=96.45 ]", ""}}, 
   {833.6159, 15.567484, "Meta"} -> {{86116, 78956, 80344}, 
     {" [ C44 H87 N3 O9 S, db=0.00, overall=47.03, mfg=94.05 ]", ""}}, 
   {693.5743, 15.541958, "Meta"} -> {{176113, 169679, 168992}, 
     {"Cholesteryl nitrolinoleate [ C45 H75 N O4, db=71.98, overall=72.53, \
mfg=73.09, Lipid ID=LMST01020028, KEGG ID= ]", ""}}, 
   {653.5966, 15.547957, "Meta"} -> {{113349, 103108, 119638}, 
     {" [ C41 H75 N5 O, db=0.00, overall=49.09, mfg=98.18 ]", ""}}, 
   {572.2969, 15.5667, "Meta"} -> {{288024, 213309, 235392}, 
     {" [ C28 H40 N6 O7, db=0.00, overall=47.71, mfg=95.42 ]", ""}}, 
   {829.6179, 15.583281, "Meta"} -> {{66663, 70121, 66760}, 
     {" [ C49 H87 N3 O3 S2, db=0.00, overall=43.58, mfg=87.16 ]", ""}}, 
   {871.6322, 15.619027, "Meta"} -> {{1560356, 1298030, 1551769}, 
     {" [ C40 H81 N13 O8, db=0.00, overall=48.84, mfg=97.69 ]", ""}}, 
   {805.6178, 15.623779, "Meta"} -> {{162129, 140412, 135064}, 
     {" [ C39 H83 N9 O6 S, db=0.00, overall=49.04, mfg=98.09 ]", ""}}, 
   {628.5288, 15.584069, "Meta"} -> {{532829, 457336, 405828}, 
     {" [ C38 H68 N4 O3, db=0.00, overall=48.64, mfg=97.28 ]", ""}}, 
   {622.3128, 15.586082, "Meta"} -> {{92441, 76775, 90756}, 
     {" [ C33 H38 N10 O3, db=0.00, overall=47.09, mfg=94.18 ]", ""}}, 
   {953.6343, 15.623856, "Meta"} -> {{35482, 31370, 29386}, 
     {" [ C55 H91 N3 O6 S2, db=0.00, overall=45.73, mfg=91.46 ]", ""}}, 
   {530.4706, 15.587228, "Meta"} -> {{294398, 250911, 193671}, 
     {" [ C35 H62 O3, db=0.00, overall=48.65, mfg=97.30 ]", ""}}, 
   {879.636, 15.608264, "Meta"} -> {{64170, 75527, 61721}, 
     {" [ C39 H73 N23 O, db=0.00, overall=32.00, mfg=64.00 ]", ""}}, 
   {755.5834, 15.588375, "Meta"} -> {{37049, 39736, 46758}, 
     {" [ C46 H73 N7 O2, db=0.00, overall=45.44, mfg=90.89 ]", ""}}, 
   {679.6127, 15.592799, "Meta"} -> {{514600, 449000, 545312}, 
     {" [ C43 H85 N S2, db=0.00, overall=46.83, mfg=93.66 ]", ""}}, 
   {709.6233, 15.589836, "Meta"} -> {{47794, 53186, 79137}, 
     {" [ C44 H87 N O S2, db=0.00, overall=38.46, mfg=76.91 ]", ""}}, 
   {858.6837, 15.622332, "Meta"} -> {{228881, 186092, 206065}, 
     {" [ C44 H86 N14 O S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {453.2862, 15.619786, "Meta"} -> {{1, 54158, 1}, 
     {"GPEtn(16:0/0:0) [ C21 H44 N O7 P, db=91.29, overall=45.65, Lipid \
ID=LMGP02050002, KEGG ID= ]", ""}}, {749.6542, 15.61675, "Meta"} -> 
    {{21228, 23027, 20037}, 
     {" [ C47 H91 N O S2, db=0.00, overall=45.37, mfg=90.73 ]", ""}}, 
   {735.6388, 15.61692, "Meta"} -> {{78073, 86342, 93863}, 
     {" [ C45 H85 N O6, db=0.00, overall=47.65, mfg=95.30 ]", ""}}, 
   {855.6365, 15.652359, "Meta"} -> {{347909, 351313, 311958}, 
     {" [ C52 H77 N11, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {765.6509, 15.617542, "Meta"} -> {{35918, 33996, 42174}, 
     {" [ C47 H83 N5 O3, db=0.00, overall=47.61, mfg=95.21 ]", ""}}, 
   {705.6286, 15.617499, "Meta"} -> {{809343, 761139, 866134}, 
     {" [ C45 H79 N5 O, db=0.00, overall=49.25, mfg=98.50 ]", ""}}, 
   {654.5446, 15.617576, "Meta"} -> {{604840, 675963, 720927}, 
     {" [ C39 H74 O7, db=0.00, overall=47.17, mfg=94.34 ]", ""}}, 
   {698.5529, 15.625377, "Meta"} -> {{31674, 34477, 28974}, 
     {" [ C50 H70 N2, db=0.00, overall=34.51, mfg=69.02 ]", ""}}, 
   {637.6019, 15.637375, "Meta"} -> {{85991, 78033, 94132}, 
     {" [ C41 H75 N5, db=0.00, overall=49.37, mfg=98.74 ]", ""}}, 
   {667.6122, 15.644417, "Meta"} -> {{61221, 64431, 66290}, 
     {" [ C42 H77 N5 O, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {680.5605, 15.656303, "Meta"} -> {{1178997, 1405037, 1431962}, 
     {" [ C42 H72 N4 O3, db=0.00, overall=47.16, mfg=94.32 ]", ""}}, 
   {724.5682, 15.665875, "Meta"} -> {{56138, 69884, 53126}, 
     {" [ C36 H72 N10 O5, db=0.00, overall=44.84, mfg=89.68 ]", ""}}, 
   {642.5446, 15.675583, "Meta"} -> {{86601, 69686, 66906}, 
     {" [ C39 H70 N4 O3, db=0.00, overall=46.51, mfg=93.02 ]", ""}}, 
   {847.632, 15.714457, "Meta"} -> {{2348307, 2248581, 2046553}, 
     {" [ C45 H89 N3 O9 S, db=0.00, overall=48.08, mfg=96.16 ]", ""}}, 
   {897.6469, 15.705865, "Meta"} -> {{223184, 248706, 214952}, 
     {" [ C46 H83 N13 O3 S, db=0.00, overall=48.95, mfg=97.89 ]", ""}}, 
   {693.6282, 15.692093, "Meta"} -> {{393661, 360393, 426057}, 
     {" [ C44 H87 N S2, db=0.00, overall=48.14, mfg=96.27 ]", ""}}, 
   {872.6999, 15.715054, "Meta"} -> {{1408226, 1353585, 1488089}, 
     {" [ C41 H88 N14 O6, db=0.00, overall=48.37, mfg=96.75 ]", ""}}, 
   {831.635, 15.728916, "Meta"} -> {{1, 157294, 163972}, 
     {" [ C57 H85 N O S, db=0.00, overall=41.29, mfg=82.58 ]", ""}}, 
   {719.6434, 15.707748, "Meta"} -> {{34392, 30967, 35681}, 
     {" [ C46 H89 N S2, db=0.00, overall=44.59, mfg=89.17 ]", ""}}, 
   {695.5906, 15.714833, "Meta"} -> {{94686, 96483, 104220}, 
     {" [ C43 H77 N5 S, db=0.00, overall=48.57, mfg=97.14 ]", ""}}, 
   {881.652, 15.733251, "Meta"} -> {{175380, 1, 179231}, 
     {" [ C54 H79 N11, db=0.00, overall=48.62, mfg=97.25 ]", ""}}, 
   {528.455, 15.728084, "Meta"} -> {{386567, 343000, 299088}, 
     {" [ C35 H60 O3, db=0.00, overall=48.59, mfg=97.18 ]", ""}}, 
   {711.6391, 15.733624, "Meta"} -> {{30243, 34181, 42530}, 
     {" [ C44 H89 N O S2, db=0.00, overall=41.67, mfg=83.35 ]", ""}}, 
   {681.6282, 15.733428, "Meta"} -> {{273991, 235908, 310039}, 
     {" [ C43 H87 N S2, db=0.00, overall=47.51, mfg=95.03 ]", ""}}, 
   {707.6441, 15.738883, "Meta"} -> {{516325, 438523, 595286}, 
     {" [ C45 H81 N5 O, db=0.00, overall=49.72, mfg=99.44 ]", ""}}, 
   {886.7151, 15.768927, "Meta"} -> {{100738, 75013, 93388}, 
     {" [ C49 H98 N4 O7 S, db=0.00, overall=48.66, mfg=97.33 ]", ""}}, 
   {929.6339, 15.782001, "Meta"} -> {{72604, 1, 145318}, 
     {" [ C53 H91 N3 O6 S2, db=0.00, overall=43.84, mfg=87.69 ]", ""}}, 
   {656.5605, 15.781667, "Meta"} -> {{1740401, 1518090, 1262021}, 
     {" [ C39 H76 O7, db=0.00, overall=48.54, mfg=97.08 ]", ""}}, 
   {873.6468, 15.803656, "Meta"} -> {{443797, 504039, 394118}, 
     {" [ C44 H83 N13 O3 S, db=0.00, overall=48.52, mfg=97.05 ]", ""}}, 
   {860.6989, 15.793875, "Meta"} -> {{166425, 159438, 170006}, 
     {" [ C44 H88 N14 O S, db=0.00, overall=48.99, mfg=97.98 ]", ""}}, 
   {632.5155, 15.788921, "Meta"} -> {{89293, 79858, 61654}, 
     {" [ C38 H69 Cl N4 O, db=0.00, overall=49.08, mfg=98.17 ]", ""}}, 
   {707.6442, 15.790972, "Meta"} -> {{657732, 613202, 797267}, 
     {" [ C45 H81 N5 O, db=0.00, overall=47.32, mfg=94.64 ]", ""}}, 
   {751.6695, 15.7975, "Meta"} -> {{35575, 31877, 50216}, 
     {" [ C47 H85 N5 O2, db=0.00, overall=45.60, mfg=91.21 ]", ""}}, 
   {700.5677, 15.798713, "Meta"} -> {{175246, 175389, 118450}, 
     {" [ C41 H80 O6 S, db=0.00, overall=47.88, mfg=95.76 ]", ""}}, 
   {695.6435, 15.830387, "Meta"} -> {{153686, 168729, 190739}, 
     {" [ C44 H89 N S2, db=0.00, overall=47.44, mfg=94.88 ]", ""}}, 
   {665.6331, 15.839771, "Meta"} -> {{144707, 132560, 163589}, 
     {" [ C43 H79 N5, db=0.00, overall=46.85, mfg=93.71 ]", ""}}, 
   {691.6489, 15.863616, "Meta"} -> {{171503, 166429, 195226}, 
     {" [ C45 H81 N5, db=0.00, overall=48.96, mfg=97.92 ]", ""}}, 
   {933.6834, 15.896667, "Meta"} -> {{131802, 124335, 130378}, 
     {" [ C58 H83 N11, db=0.00, overall=47.36, mfg=94.72 ]", ""}}, 
   {874.7147, 15.911758, "Meta"} -> {{324413, 311164, 343291}, 
     {" [ C45 H90 N14 O S, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {883.6677, 15.9162855, "Meta"} -> {{324014, 379745, 328363}, 
     {" [ C54 H81 N11, db=0.00, overall=48.24, mfg=96.48 ]", ""}}, 
   {956.7172, 15.908241, "Meta"} -> {{60997, 66434, 73165}, 
     {" [ C55 H96 N4 O9, db=0.00, overall=46.28, mfg=92.56 ]", ""}}, 
   {739.669, 15.933208, "Meta"} -> {{50258, 59168, 71038}, 
     {" [ C45 H89 N O6, db=0.00, overall=47.95, mfg=95.91 ]", ""}}, 
   {709.6597, 15.933741, "Meta"} -> {{384561, 342653, 423475}, 
     {" [ C45 H83 N5 O, db=0.00, overall=48.65, mfg=97.29 ]", ""}}, 
   {769.682, 15.933376, "Meta"} -> {{22772, 17301, 25728}, 
     {" [ C47 H87 N5 O3, db=0.00, overall=47.17, mfg=94.35 ]", ""}}, 
   {598.3128, 15.924447, "Meta"} -> {{675012, 467151, 660056}, 
     {" [ C26 H50 N2 O11 S, db=0.00, overall=46.58, mfg=93.15 ]", ""}}, 
   {909.6833, 15.955614, "Meta"} -> {{352472, 349609, 402970}, 
     {" [ C56 H83 N11, db=0.00, overall=48.76, mfg=97.51 ]", ""}}, 
   {679.6487, 15.94671, "Meta"} -> {{60325, 53657, 65276}, 
     {" [ C44 H81 N5, db=0.00, overall=48.09, mfg=96.19 ]", ""}}, 
   {858.5275, 15.96671, "Meta"} -> {{1029060, 892009, 79145}, 
     {" [ C37 H70 N12 O11, db=0.00, overall=48.35, mfg=96.71 ]", ""}}, 
   {660.5468, 16.006577, "Meta"} -> {{219692, 187130, 120342}, 
     {" [ C40 H73 Cl N4 O, db=0.00, overall=48.66, mfg=97.32 ]", ""}}, 
   {684.5916, 16.001581, "Meta"} -> {{2064553, 1959210, 1495206}, 
     {" [ C42 H76 N4 O3, db=0.00, overall=48.62, mfg=97.24 ]", ""}}, 
   {723.675, 16.01171, "Meta"} -> {{25693, 25569, 38292}, 
     {" [ C46 H85 N5 O, db=0.00, overall=48.78, mfg=97.57 ]", ""}}, 
   {728.5992, 16.024889, "Meta"} -> {{156435, 210273, 160895}, 
     {" [ C43 H84 O6 S, db=0.00, overall=48.52, mfg=97.03 ]", ""}}, 
   {935.6992, 16.051437, "Meta"} -> {{376130, 396794, 424349}, 
     {" [ C43 H81 N23 O, db=0.00, overall=31.76, mfg=63.53 ]", ""}}, 
   {693.6645, 16.063751, "Meta"} -> {{127838, 120002, 154183}, 
     {" [ C44 H87 N O4, db=0.00, overall=48.84, mfg=97.68 ]", ""}}, 
   {669.62, 16.066248, "Meta"} -> {{25794, 22609, 27788}, 
     {" [ C42 H84 Cl N O2, db=0.00, overall=47.96, mfg=95.92 ]", ""}}, 
   {937.7147, 16.222347, "Meta"} -> {{543799, 519743, 640216}, 
     {" [ C53 H99 N3 O8 S, overall=48.98, mfg=97.96 ]", ""}}, 
   {392.115, 0.36587504, "Meta"} -> {{24381, 21701, 21567}, 
     {"Desmethyldehydroamlodipine [ C19 H21 Cl N2 O5, db=56.48, \
overall=56.48, mfg=56.48, KEGG ID=, CAS ID=113994-38-0 ]", "113994-38-0"}}, 
   {2826.1416, 0.36848277, "Meta"} -> {{28168, 24994, 22396}, {"", ""}}, 
   {1940.0839, 0.37066662, "Meta"} -> {{16600, 18910, 1}, {"", ""}}, 
   {2104.0918, 0.37090003, "Meta"} -> {{21800, 17459, 20096}, {"", ""}}, 
   {2268.0967, 0.37051854, "Meta"} -> {{1, 16666, 19808}, {"", ""}}, 
   {1776.0778, 0.37057692, "Meta"} -> {{17587, 11471, 1}, {"", ""}}, 
   {2186.0952, 0.37076664, "Meta"} -> {{21889, 15877, 1}, {"", ""}}, 
   {1224.0387, 0.37313792, "Meta"} -> {{15986, 13444, 10328}, 
     {" [ C39 H24 N18 O24 S3, db=0.00, overall=40.07, mfg=80.14 ]", ""}}, 
   {281.9862, 0.39045456, "Meta"} -> {{157757, 159457, 185142}, 
     {" [ C11 H7 Cl N2 O3 S, db=0.00, overall=45.52, mfg=91.03 ]", ""}}, 
   {339.945, 0.39517146, "Meta"} -> {{245093, 239951, 229733}, 
     {" [ C8 H6 Cl2 N4 O5 S, db=0.00, overall=45.28, mfg=90.57 ]", ""}}, 
   {341.9054, 0.5038181, "Meta"} -> {{184807, 183499, 178001}, 
     {" [ C17 H Cl3 O2, db=0.00, overall=41.82, mfg=83.63 ]", ""}}, 
   {129.0433, 0.51850003, "Meta"} -> {{1, 332523, 334960}, 
     {"Pyroglutamic acid [ C5 H7 N O3, db=83.72, overall=83.75, mfg=83.79, \
KEGG ID=C01879, CAS ID=98-79-3 ]", "98-79-3"}}, 
   {270.0958, 0.5493438, "Meta"} -> {{27409, 44536, 23142}, 
     {"His Asp [ C10 H14 N4 O5, db=80.22, overall=81.24, mfg=82.26 ]", ""}}, 
   {188.0502, 0.59248394, "Meta"} -> {{239067, 337087, 1}, 
     {" [ C8 H12 O3 S, db=0.00, overall=45.38, mfg=90.76 ]", ""}}, 
   {113.048, 0.6596154, "Meta"} -> {{1, 102245, 58458}, 
     {"1-Pyrroline-5-carboxylic acid [ C5 H7 N O2, db=81.81, overall=82.31, \
mfg=82.81, KEGG ID=, CAS ID=2906-39-0 ]", "2906-39-0"}}, 
   {268.0812, 0.8973462, "Meta"} -> {{59186, 52861, 60556}, 
     {"Inosine [ C10 H12 N4 O5, db=61.70, overall=54.14, mfg=61.56, KEGG \
ID=C00294, CAS ID=58-63-9 ]", "58-63-9"}}, {488.12, 1.2590418, "Meta"} -> 
    {{1, 90416, 70151}, 
     {" [ C29 H25 Cl O3 S, db=0.00, overall=47.67, mfg=95.34 ]", ""}}, 
   {1039.0647, 1.2932502, "Meta"} -> {{49526, 42004, 1}, 
     {" [ C41 H21 N9 O25, db=0.00, overall=31.19, mfg=62.38 ]", ""}}, 
   {344.1351, 1.283226, "Meta"} -> {{1, 112671, 70242}, 
     {"Tyr Tyr [ C18 H20 N2 O5, db=83.97, overall=84.17, mfg=84.37 ]", ""}}, 
   {213.0097, 2.6261668, "Meta"} -> {{183949, 203069, 175243}, 
     {"Indoxylsulfuric acid [ C8 H7 N O4 S, db=96.36, overall=96.40, \
mfg=96.44, KEGG ID=, CAS ID=487-94-5 ]", "487-94-5"}}, 
   {179.0583, 2.9304287, "Meta"} -> {{2165122, 2213895, 2044134}, 
     {"5,8-Dihydroxy-3,4-dihydrocarbostyril [ C9 H9 N O3, db=99.35, \
overall=99.43, mfg=99.50, KEGG ID=, CAS ID=59430-56-7 ]", "59430-56-7"}}, 
   {270.0177, 3.6914332, "Meta"} -> {{262924, 260958, 241160}, 
     {" [ C7 H6 N6 O4 S, db=0.00, overall=47.23, mfg=94.45 ]", ""}}, 
   {122.0369, 5.1575527, "Meta"} -> {{74015, 69818, 90613}, 
     {"Benzoic acid [ C7 H6 O2, db=74.25, overall=74.43, mfg=74.62, KEGG ID=, \
CAS ID=65-85-0 ]", "65-85-0"}}, {413.195, 6.4477906, "Meta"} -> 
    {{60167, 78223, 67996}, 
     {"Phe Phe Thr [ C22 H27 N3 O5, db=96.99, overall=97.00, mfg=97.01 ]", 
      ""}}, {246.0564, 6.803699, "Meta"} -> {{157207, 164775, 139716}, 
     {" [ C10 H14 O5 S, db=0.00, overall=47.22, mfg=94.45 ]", ""}}, 
   {214.0301, 7.354036, "Meta"} -> {{156239, 177273, 167207}, 
     {" [ C9 H10 O4 S, db=0.00, overall=47.50, mfg=95.01 ]", ""}}, 
   {195.0532, 7.4932303, "Meta"} -> {{23074, 23189, 1}, 
     {"Salicyluric acid [ C9 H9 N O4, db=62.60, overall=63.12, mfg=63.64, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {376.1271, 8.715532, "Meta"} -> {{35860, 28691, 44540}, 
     {"3,5-Pyridinedicarboxylic acid, \
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-hydroxyethyl methyl es [ C18 \
H20 N2 O7, db=79.55, overall=80.77, mfg=81.99, KEGG ID=, CAS ID=85677-95-8 ]"\
, "85677-95-8"}}, {346.153, 8.854448, "Meta"} -> {{24284, 18084, 27644}, 
     {" [ C19 H26 N2 S2, db=0.00, overall=41.40, mfg=82.81 ]", ""}}, 
   {198.1256, 10.538999, "Meta"} -> {{16565, 18177, 16969}, 
     {" [ C11 H18 O3, db=0.00, overall=32.83, mfg=65.66 ]", ""}}, 
   {264.1341, 10.72652, "Meta"} -> {{12227, 20123, 21393}, 
     {" [ C11 H24 N2 O S2, db=0.00, overall=42.09, mfg=84.18 ]", ""}}, 
   {386.1761, 11.3342085, "Meta"} -> {{58005, 50731, 45784}, 
     {"Lys Cys His [ C15 H26 N6 O4 S, db=49.38, overall=49.57, mfg=49.75 ]", 
      ""}}, {268.2022, 11.398, "Meta"} -> {{62241, 80808, 58413}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=48.00, overall=48.80, mfg=49.60, Lipid ID=, KEGG ID= ]", ""}}, 
   {395.9829, 11.524359, "Meta"} -> {{263152, 237244, 1}, 
     {" [ C12 H4 N4 O12, db=0.00, overall=40.58, mfg=81.16 ]", ""}}, 
   {736.2326, 11.550653, "Meta"} -> {{31414, 31608, 43022}, 
     {" [ C39 H32 N10 O4 S, db=0.00, overall=45.50, mfg=90.99 ]", ""}}, 
   {282.1832, 11.806601, "Meta"} -> {{10848, 1, 45638}, 
     {" [ C16 H26 O4, db=0.00, overall=34.48, mfg=46.54 ]", ""}}, 
   {458.1606, 11.865269, "Meta"} -> {{23837, 34115, 26165}, 
     {" [ C24 H27 Cl N2 O5, db=0.00, overall=40.63, mfg=81.26 ]", ""}}, 
   {408.2512, 11.875426, "Meta"} -> {{1, 1, 12924}, 
     {" [ C24 H40 O S2, db=0.00, overall=43.12, mfg=86.24 ]", ""}}, 
   {320.1992, 12.12732, "Meta"} -> {{19841, 1, 17269}, 
     {"QH2 [ C19 H28 O4, db=65.46, overall=66.71, mfg=67.96, HMP \
ID=HMDB01304, KEGG ID= ]", ""}}, {290.1551, 12.085966, "Meta"} -> 
    {{24492, 26002, 25998}, 
     {" [ C14 H26 O4 S, db=0.00, overall=40.00, mfg=80.00 ]", ""}}, 
   {606.1984, 12.187601, "Meta"} -> {{1, 1, 1}, {"hydroxy acid of Etoposide [ \
C29 H34 O14, db=66.35, overall=66.79, mfg=67.24, KEGG ID=, CAS ID=172138-89-5 \
]", "172138-89-5"}}, {430.2027, 12.269668, "Meta"} -> 
    {{1, 20412, 1}, {" [ C22 H38 O2 S3, db=0.00, overall=41.06, mfg=82.13 ]", 
      ""}}, {446.3025, 12.645787, "Meta"} -> {{35261, 51979, 34518}, 
     {"(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / \
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol [ C27 H42 O5, db=74.04, \
overall=75.15, mfg=76.27, Lipid ID=LMST03020194, KEGG ID= ]", ""}}, 
   {529.1844, 12.800125, "Meta"} -> {{23306, 20793, 25627}, 
     {"M-Hydroxydesmethylgliquidone [ C26 H31 N3 O7 S, db=65.43, \
overall=66.57, mfg=67.70, KEGG ID=, CAS ID=58523-24-3 ]", "58523-24-3"}}, 
   {532.2652, 12.892642, "Meta"} -> {{1, 14481, 12782}, 
     {"Calotropin [ C29 H40 O9, db=61.28, overall=62.42, mfg=63.56, KEGG \
ID=C08855, CAS ID=1986-70-5 ]", "1986-70-5"}}, 
   {1204.6877, 12.977323, "Meta"} -> {{36485, 34148, 31490}, 
     {" [ C56 H100 N8 O18 S, db=0.00, overall=46.00, mfg=92.01 ]", ""}}, 
   {268.2042, 12.958279, "Meta"} -> {{14163, 20292, 1}, 
     {"(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid [ C16 H28 O3, \
db=78.87, overall=78.92, mfg=78.97, Lipid ID=, KEGG ID= ]", ""}}, 
   {356.2212, 13.095407, "Meta"} -> {{18513, 33798, 31013}, 
     {"methyl 13,15-epidioxy-12-hydroperoxy-9Z,16E-octadecadienoate [ C19 H32 \
O6, db=56.61, overall=58.78, mfg=60.95, Lipid ID=, KEGG ID= ]", ""}}, 
   {348.2307, 13.134232, "Meta"} -> {{1, 42582, 37199}, 
     {"11-deoxy-11-methylene-15-keto-PGD2 [ C21 H32 O4, db=52.21, \
overall=51.57, mfg=50.93, Lipid ID=LMFA03010104, KEGG ID= ]", ""}}, 
   {605.3691, 13.178268, "Meta"} -> {{454892, 1, 415999}, 
     {" [ C33 H47 N7 O4, db=0.00, overall=48.32, mfg=96.63 ]", ""}}, 
   {641.3912, 13.442166, "Meta"} -> {{34416, 45233, 36121}, 
     {" [ C34 H55 N7 O S2, db=0.00, overall=42.84, mfg=85.67 ]", ""}}, 
   {396.2361, 13.444693, "Meta"} -> {{115771, 107507, 85089}, 
     {" [ C19 H40 O4 S2, db=0.00, overall=42.35, mfg=84.71 ]", ""}}, 
   {799.5717, 13.555669, "Meta"} -> {{87690, 83698, 77207}, 
     {" [ C46 H77 N3 O8, db=0.00, overall=47.72, mfg=95.44 ]", ""}}, 
   {454.2541, 13.562923, "Meta"} -> {{1, 18886, 1}, 
     {"18-acetoxy-PGF2alpha-11-acetate [ C24 H38 O8, db=38.97, overall=39.32, \
mfg=39.68, Lipid ID=LMFA03010098, KEGG ID= ]", ""}}, 
   {482.359, 13.575268, "Meta"} -> {{274553, 1, 252168}, 
     {" [ C25 H42 N10, overall=40.71, mfg=47.56 ]", ""}}, 
   {396.2372, 13.604919, "Meta"} -> {{1, 109950, 98608}, 
     {" [ C19 H32 N4 O5, db=0.00, overall=34.06, mfg=68.12 ]", ""}}, 
   {442.3646, 13.745557, "Meta"} -> {{15846, 24702, 16939}, 
     {" [ C26 H50 O5, db=0.00, overall=44.26, mfg=88.51 ]", ""}}, 
   {1105.8247, 13.8239975, "Meta"} -> {{1, 1, 1}, 
     {" [ C55 H107 N15 O6 S, db=0.00, overall=48.35, mfg=96.69 ]", ""}}, 
   {896.6389, 13.828719, "Meta"} -> {{22972, 1, 1}, 
     {" [ C58 H89 Cl N2 O S, db=0.00, overall=43.79, mfg=87.58 ]", ""}}, 
   {376.2282, 13.842126, "Meta"} -> {{43603, 50475, 42316}, 
     {" [ C22 H33 Cl N2 O, overall=46.29, mfg=92.58 ]", ""}}, 
   {486.3914, 13.911767, "Meta"} -> {{1, 1, 41794}, 
     {" [ C25 H46 N10, db=0.00, overall=39.70, mfg=79.39 ]", ""}}, 
   {386.3395, 13.9640665, "Meta"} -> {{66152, 73592, 69251}, 
     {"1-eicosanoyl-rac-glycerol [ C23 H46 O4, db=97.02, overall=97.26, \
mfg=97.49, KEGG ID=, CAS ID= ]", ""}}, {578.4376, 13.97548, "Meta"} -> 
    {{1, 54431, 1}, 
     {" [ C30 H63 Cl N4 O2 S, db=0.00, overall=39.34, mfg=78.67 ]", ""}}, 
   {710.492, 13.975902, "Meta"} -> {{19213, 19540, 18584}, 
     {" [ C32 H70 N8 O5 S2, db=0.00, overall=39.69, mfg=79.39 ]", ""}}, 
   {370.3084, 13.988898, "Meta"} -> {{21929, 1, 32969}, 
     {"Docosanedioic acid [ C22 H42 O4, db=91.02, overall=91.73, mfg=92.45, \
Lipid ID=LMFA01170037, KEGG ID= ]", ""}}, {376.2806, 13.9918785, "Meta"} -> 
    {{1, 1, 1}, {" [ C24 H40 O S, db=0.00, overall=43.80, mfg=87.59 ]", ""}}, 
   {366.2425, 13.992182, "Meta"} -> {{107999, 109103, 57566}, 
     {"Allocortolone [ C21 H34 O5, db=51.09, overall=52.48, mfg=53.87, KEGG \
ID=, CAS ID=640-85-7 ]", "640-85-7"}}, {982.7606, 14.085958, "Meta"} -> 
    {{1, 1, 1}, {" [ C53 H98 N12 O3 S, db=0.00, overall=45.25, mfg=90.50 ]", 
      ""}}, {400.3356, 14.128222, "Meta"} -> {{42621, 57062, 18018}, 
     {"(5E)-1alpha-hydroxy-3-epivitamin D_3 / \
(5E)-1alpha-hydroxy-3-epicholecalciferol [ C27 H44 O2, db=64.38, \
overall=66.05, mfg=67.72, Lipid ID=LMST03020234, KEGG ID= ]", ""}}, 
   {518.3971, 14.231, "Meta"} -> {{564390, 631559, 476880}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=61.88, \
overall=61.38, mfg=47.61, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {362.2655, 14.299875, "Meta"} -> {{93773, 85822, 89140}, 
     {" [ C23 H38 O S, db=0.00, overall=31.35, mfg=62.71 ]", ""}}, 
   {566.3496, 14.295462, "Meta"} -> {{1, 19745, 1}, 
     {" [ C29 H58 O4 S3, db=0.00, overall=40.20, mfg=80.41 ]", ""}}, 
   {504.3091, 14.391079, "Meta"} -> {{31599, 25814, 20030}, 
     {"Digitoxigenin monodigitoxoside [ C29 H44 O7, db=68.04, overall=68.65, \
mfg=69.27, KEGG ID=, CAS ID=18404-43-8 ]", "18404-43-8"}}, 
   {430.3276, 14.462699, "Meta"} -> {{1, 70767, 62262}, 
     {" [ C20 H43 Cl N8, db=0.00, overall=33.20, mfg=66.40 ]", ""}}, 
   {372.3052, 14.460282, "Meta"} -> {{1, 90155, 102054}, 
     {" [ C25 H40 O2, db=0.00, overall=35.18, mfg=70.37 ]", ""}}, 
   {416.3126, 14.462658, "Meta"} -> {{479593, 479098, 483283}, 
     {" [ C20 H36 N10, db=0.00, overall=42.51, mfg=85.02 ]", ""}}, 
   {582.486, 14.575601, "Meta"} -> {{60743, 1, 31563}, 
     {" [ C39 H66 O S, db=0.00, overall=45.45, mfg=90.89 ]", ""}}, 
   {610.4812, 14.615002, "Meta"} -> {{114422, 112610, 152424}, 
     {" [ C37 H70 O2 S2, db=0.00, overall=45.56, mfg=91.12 ]", ""}}, 
   {594.5997, 14.633184, "Meta"} -> {{1120639, 866344, 1352366}, {"", ""}}, 
   {554.4878, 14.653139, "Meta"} -> {{142009, 161674, 187898}, 
     {" [ C38 H66 S, db=0.00, overall=47.99, mfg=95.98 ]", ""}}, 
   {666.5026, 14.703533, "Meta"} -> {{1, 208262, 145815}, 
     {" [ C37 H76 Cl2 N2 O S, db=0.00, overall=41.79, mfg=83.57 ]", ""}}, 
   {705.44, 14.702713, "Meta"} -> {{118436, 177275, 221520}, 
     {" [ C39 H67 N3 O2 S3, db=0.00, overall=45.22, mfg=90.45 ]", ""}}, 
   {736.5102, 14.701303, "Meta"} -> {{161328, 155603, 81378}, 
     {" [ C41 H81 Cl O2 S3, db=0.00, overall=35.81, mfg=71.62 ]", ""}}, 
   {526.4006, 14.730372, "Meta"} -> {{1, 27440, 1}, 
     {" [ C34 H55 Cl N2, db=0.00, overall=30.13, mfg=60.26 ]", ""}}, 
   {914.7314, 15.164277, "Meta"} -> {{18536, 20375, 1}, 
     {"TG(17:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso3] [ C60 H98 \
O6, db=71.00, overall=71.13, mfg=71.25, Lipid ID=LMGL03011013, KEGG ID= ]", 
      ""}}, {735.5212, 15.179166, "Meta"} -> {{1, 196332, 1}, 
     {" [ C38 H65 N13 S, db=0.00, overall=49.61, mfg=99.21 ]", ""}}, 
   {546.378, 15.174809, "Meta"} -> {{23267, 21184, 1}, 
     {" [ C34 H55 Cl O3, db=0.00, overall=45.59, mfg=91.17 ]", ""}}, 
   {790.6212, 15.241833, "Meta"} -> {{1, 1, 1}, 
     {" [ C39 H78 N14 O S, db=0.00, overall=49.24, mfg=98.47 ]", ""}}, 
   {791.5627, 15.259897, "Meta"} -> {{89572, 1, 1}, 
     {" [ C41 H77 N9 O2 S2, overall=48.46, mfg=96.92 ]", ""}}, 
   {294.1868, 15.351442, "Meta"} -> {{1, 1, 45195}, 
     {"Sodium tetradecyl sulfate [ C14 H30 O4 S, db=86.46, overall=86.75, \
mfg=87.04, KEGG ID=, CAS ID=139-88-8 ]", "139-88-8"}}, 
   {827.6049, 15.412763, "Meta"} -> {{166482, 154603, 124922}, 
     {" [ C49 H77 N7 O4, db=0.00, overall=48.04, mfg=96.08 ]", ""}}, 
   {832.6678, 15.568999, "Meta"} -> {{33313, 20835, 25111}, 
     {" [ C42 H84 N14 O S, db=0.00, overall=44.81, mfg=89.63 ]", ""}}, 
   {954.7022, 15.743367, "Meta"} -> {{1, 84981, 1}, 
     {" [ C48 H94 N10 O7 S, overall=48.48, mfg=96.96 ]", ""}}, 
   {326.1918, 15.804552, "Meta"} -> {{669426, 813221, 1}, 
     {" [ C18 H30 O3 S, db=0.00, overall=48.77, mfg=97.53 ]", ""}}, 
   {102.0328, 0.4393703, "Meta"} -> {{1, 46851, 51951}, 
     {" [ C4 H6 O3, db=0.00, overall=39.47, mfg=78.93 ]", ""}}, 
   {216.0795, 0.77412504, "Meta"} -> {{1, 106057, 106628}, 
     {"6-Methoxy-2-naphthylacetic acid [ C13 H12 O3, db=65.93, overall=67.29, \
mfg=68.64, KEGG ID=, CAS ID=23981-47-7 ]", "23981-47-7"}}, 
   {195.0533, 1.6278079, "Meta"} -> {{42131, 48785, 46794}, 
     {"Salicyluric acid [ C9 H9 N O4, db=86.98, overall=87.14, mfg=87.30, \
KEGG ID=C07588, CAS ID=487-54-7 ]", "487-54-7"}}, 
   {204.0091, 2.5348845, "Meta"} -> {{234397, 243462, 1}, 
     {" [ C7 H8 O5 S, db=0.00, overall=49.19, mfg=98.38 ]", ""}}, 
   {556.8784, 7.0970006, "Meta"} -> {{599924, 76954, 214101}, 
     {" [ C20 H4 Cl N5 O5 S4, db=0.00, overall=29.76, mfg=59.52 ]", ""}}, 
   {172.1099, 7.992001, "Meta"} -> {{60926, 1, 1}, {"9-hydroxy-5Z-nonenoic \
acid [ C9 H16 O3, db=65.72, overall=66.15, mfg=66.58, Lipid ID=, KEGG ID= ]", 
      ""}}, {1151.0627, 9.671202, "Meta"} -> {{87545, 88872, 80838}, 
     {" [ C38 H21 N15 O29, db=0.00, overall=42.55, mfg=85.10 ]", ""}}, 
   {391.2936, 11.111439, "Meta"} -> {{45846, 42638, 40029}, 
     {" [ C20 H41 N O6, db=0.00, overall=46.60, mfg=93.20 ]", ""}}, 
   {272.1988, 12.011203, "Meta"} -> {{20497, 20740, 1}, 
     {"3-methyl-tetradecanedioic acid [ C15 H28 O4, db=70.45, overall=70.49, \
mfg=70.53, Lipid ID=, KEGG ID= ]", ""}}, {314.2458, 13.07264, "Meta"} -> 
    {{28732, 1, 1}, {"Octadecanedioic acid [ C18 H34 O4, db=91.63, \
overall=92.33, mfg=46.83, HMP ID=HMDB00782, KEGG ID= ]", ""}}, 
   {488.2986, 13.193373, "Meta"} -> {{73048, 66697, 73262}, 
     {" [ C25 H44 O9, db=0.00, overall=47.25, mfg=94.50 ]", ""}}, 
   {410.3017, 13.6210785, "Meta"} -> {{49325, 50810, 43306}, 
     {" [ C20 H38 N6 O3, db=0.00, overall=36.14, mfg=72.28 ]", ""}}, 
   {430.254, 13.625407, "Meta"} -> {{11814, 15321, 14290}, 
     {" [ C14 H31 Cl N14, overall=41.74, mfg=83.48 ]", ""}}, 
   {518.3969, 13.970104, "Meta"} -> {{269610, 240718, 274924}, 
     {"1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 / \
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy [ C32 H54 O5, db=62.04, \
overall=61.40, mfg=60.75, Lipid ID=LMST03020527, KEGG ID= ]", ""}}, 
   {616.4652, 13.974344, "Meta"} -> {{48191, 1, 41518}, 
     {" [ C45 H60 O, db=0.00, overall=43.95, mfg=87.89 ]", ""}}, 
   {420.2473, 13.982792, "Meta"} -> {{19338, 1, 1}, 
     {"Val Phe Arg [ C20 H32 N6 O4, db=58.97, overall=59.69, mfg=60.42 ]", 
      ""}}, {604.4514, 14.08432, "Meta"} -> {{33861, 30230, 25129}, 
     {" [ C32 H65 Cl N4 O2 S, db=0.00, overall=37.01, mfg=74.02 ]", ""}}, 
   {442.3104, 14.1235, "Meta"} -> {{1, 1, 69570}, {"(22S)-1alpha,22,25-trihyd\
roxy-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1alpha,22,25-trih [ \
C28 H42 O4, db=59.93, overall=29.96, Lipid ID=LMST03020315, KEGG ID= ]", 
      ""}}, {556.4324, 14.215158, "Meta"} -> {{50561, 57526, 47394}, 
     {" [ C29 H60 N6 S2, db=0.00, overall=42.81, mfg=85.62 ]", ""}}, 
   {544.4117, 14.453874, "Meta"} -> {{87999, 1, 150601}, 
     {" [ C30 H52 N6 O3, db=0.00, overall=34.24, mfg=68.49 ]", ""}}, 
   {614.5117, 14.461445, "Meta"} -> {{203907, 1, 217818}, 
     {" [ C37 H74 O2 S2, db=0.00, overall=37.55, mfg=75.10 ]", ""}}, 
   {596.4426, 14.512201, "Meta"} -> {{122274, 161415, 148257}, 
     {" [ C42 H60 S, db=0.00, overall=31.52, mfg=63.03 ]", ""}}, 
   {638.4942, 14.627799, "Meta"} -> {{360579, 387826, 392717}, 
     {"1-(9Z,12Z,15Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-\
glycerol [ C41 H66 O5, db=54.66, overall=55.04, mfg=55.43, KEGG ID=, CAS ID= \
]", ""}}, {924.58, 14.921433, "Meta"} -> {{1, 36671, 1}, 
     {" [ C47 H76 N10 O9, db=0.00, overall=47.33, mfg=94.65 ]", ""}}, 
   {309.1084, 0.48468965, "Meta"} -> {{24866, 24439, 25849}, 
     {"N-Acetyl-a-neuraminic acid [ C11 H19 N O9, db=52.45, overall=52.33, \
mfg=52.22, HMP ID=HMDB00773, KEGG ID= ]", ""}}, 
   {420.071, 10.063832, "Meta"} -> {{15034, 1, 14089}, 
     {" [ C21 H24 O S4, db=0.00, overall=45.01, mfg=90.02 ]", ""}}, 
   {436.3182, 13.738155, "Meta"} -> {{22145, 37741, 22326}, 
     {" [ C26 H44 O5, overall=32.69, mfg=65.37 ]", ""}}, 
   {421.948, 0.39287496, "Meta"} -> {{122764, 1, 115150}, 
     {" [ C11 H12 Cl2 O11 S, db=0.00, overall=48.58, mfg=97.17 ]", ""}}|>|>
